1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene

C101H170O7 — CID 159888787

IUPAC1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=CC(C=C)OCCCCCCC.C=CC(C=C)OCCCCCCCCC.C=CC(CC)OCCC.C=CCC(CC=C)OCCCCC.C=CCC(CC=C)OCCCCCCCC.CCCCCCCOc1ccc2c(c1)CC2.CCCCCCOc1ccc2c(c1)CC2.CCCc1ccc2c(c1)CC2
InChIInChI=1S/C15H22O.C15H28O.C14H20O.C14H26O.2C12H22O.C11H14.C8H16O/c1-2-3-4-5-6-11-16-15-10-9-13-7-8-14(13)12-15;1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3;1-2-3-4-5-10-15-14-9-8-12-6-7-13(12)11-14;1-4-7-8-9-10-11-12-13-15-14(5-2)6-3;1-4-7-8-9-10-11-13-12(5-2)6-3;1-4-7-8-11-13-12(9-5-2)10-6-3;1-2-3-9-4-5-10-6-7-11(10)8-9;1-4-7-9-8(5-2)6-3/h9-10,12H,2-8,11H2,1H3;5-6,15H,2-4,7-14H2,1H3;8-9,11H,2-7,10H2,1H3;5-6,14H,2-4,7-13H2,1H3;2*5-6,12H,2-4,7-11H2,1H3;4-5,8H,2-3,6-7H2,1H3;5,8H,2,4,6-7H2,1,3H3
InChIKeyNUMBOTTTZUYTHN-UHFFFAOYSA-N
MW1496.46 g/mol
LogP29.80
Rot. Bonds61

About 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene

1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 159888787) has the molecular formula C101H170O7 and a molecular weight of 1496.46 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID159888787
Molecular FormulaC101H170O7
Molecular Weight1496.46 g/mol
Exact Mass1495.29
IUPAC Name1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=CC(C=C)OCCCCCCC.C=CC(C=C)OCCCCCCCCC.C=CC(CC)OCCC.C=CCC(CC=C)OCCCCC.C=CCC(CC=C)OCCCCCCCC.CCCCCCCOc1ccc2c(c1)CC2.CCCCCCOc1ccc2c(c1)CC2.CCCc1ccc2c(c1)CC2
InChIInChI=1S/C15H22O.C15H28O.C14H20O.C14H26O.2C12H22O.C11H14.C8H16O/c1-2-3-4-5-6-11-16-15-10-9-13-7-8-14(13)12-15;1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3;1-2-3-4-5-10-15-14-9-8-12-6-7-13(12)11-14;1-4-7-8-9-10-11-12-13-15-14(5-2)6-3;1-4-7-8-9-10-11-13-12(5-2)6-3;1-4-7-8-11-13-12(9-5-2)10-6-3;1-2-3-9-4-5-10-6-7-11(10)8-9;1-4-7-9-8(5-2)6-3/h9-10,12H,2-8,11H2,1H3;5-6,15H,2-4,7-14H2,1H3;8-9,11H,2-7,10H2,1H3;5-6,14H,2-4,7-13H2,1H3;2*5-6,12H,2-4,7-11H2,1H3;4-5,8H,2-3,6-7H2,1H3;5,8H,2,4,6-7H2,1,3H3
InChIKeyNUMBOTTTZUYTHN-UHFFFAOYSA-N
XLogP29.80
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds61
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001496.46
LogP ≤ 529.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 158039049
4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 159633803
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CID 118632119
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Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 159888787) is 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene is C=CC(C=C)OCCCCCCC.C=CC(C=C)OCCCCCCCCC.C=CC(CC)OCCC.C=CCC(CC=C)OCCCCC.C=CCC(CC=C)OCCCCCCCC.CCCCCCCOc1ccc2c(c1)CC2.CCCCCCOc1ccc2c(c1)CC2.CCCc1ccc2c(c1)CC2.
What is the InChIKey of 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is NUMBOTTTZUYTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C15H28O.C14H20O.C14H26O.2C12H22O.C11H14.C8H16O/c1-2-3-4-5-6-11-16-15-10-9-13-7-8-14(13)12-15;1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3;1-2-3-4-5-10-15-14-9-8-12-6-7-13(12)11-14;1-4-7-8-9-10-11-12-13-15-14(5-2)6-3;1-4-7-8-9-10-11-13-12(5-2)6-3;1-4-7-8-11-13-12(9-5-2)10-6-3;1-2-3-9-4-5-10-6-7-11(10)8-9;1-4-7-9-8(5-2)6-3/h9-10,12H,2-8,11H2,1H3;5-6,15H,2-4,7-14H2,1H3;8-9,11H,2-7,10H2,1H3;5-6,14H,2-4,7-13H2,1H3;2*5-6,12H,2-4,7-11H2,1H3;4-5,8H,2-3,6-7H2,1H3;5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?
1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 1496.46 g/mol, XLogP of 29.80, 61 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yloxyoctane;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;1-penta-1,4-dien-3-yloxyheptane;1-penta-1,4-dien-3-yloxynonane;4-pentoxyhepta-1,6-diene;3-propoxypent-1-ene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 159888787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).