1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane

C66H104 — CID 173151084

IUPAC1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane
SMILESC=CCCCCCCCCC1(C=C)CC(C)C1=C(CC=CC1(C=C)CC1C)C(CCCC=CC1(C=C)CC1C)(CCCCCCC=C1CC1C)CC(CC=C)(CC=C)CCCCCCC=C
InChIInChI=1S/C66H104/c1-12-19-21-23-25-26-30-35-46-65(18-7)51-56(9)61(65)60(41-39-49-64(17-6)53-58(64)11)66(47-36-31-27-28-33-40-59-50-55(59)8,48-38-32-37-45-63(16-5)52-57(63)10)54-62(42-14-3,43-15-4)44-34-29-24-22-20-13-2/h12-18,37,39-40,45,49,55-58H,1-7,19-36,38,41-44,46-48,50-54H2,8-11H3
InChIKeyDYRJONZESISQJB-UHFFFAOYSA-N
MW897.56 g/mol
LogP21.25
Rot. Bonds41

About 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane

1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane (PubChem CID 173151084) has the molecular formula C66H104 and a molecular weight of 897.56 g/mol. Its IUPAC name is 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane.

Molecular Properties

Compound Name1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane
PubChem CID173151084
Molecular FormulaC66H104
Molecular Weight897.56 g/mol
Exact Mass896.81
IUPAC Name1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane
SMILESC=CCCCCCCCCC1(C=C)CC(C)C1=C(CC=CC1(C=C)CC1C)C(CCCC=CC1(C=C)CC1C)(CCCCCCC=C1CC1C)CC(CC=C)(CC=C)CCCCCCC=C
InChIInChI=1S/C66H104/c1-12-19-21-23-25-26-30-35-46-65(18-7)51-56(9)61(65)60(41-39-49-64(17-6)53-58(64)11)66(47-36-31-27-28-33-40-59-50-55(59)8,48-38-32-37-45-63(16-5)52-57(63)10)54-62(42-14-3,43-15-4)44-34-29-24-22-20-13-2/h12-18,37,39-40,45,49,55-58H,1-7,19-36,38,41-44,46-48,50-54H2,8-11H3
InChIKeyDYRJONZESISQJB-UHFFFAOYSA-N
XLogP21.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds41
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.56
LogP ≤ 521.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane?
The IUPAC name of 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane (CID 173151084) is 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane.
What is the SMILES notation for 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane?
The canonical SMILES for 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane is C=CCCCCCCCCC1(C=C)CC(C)C1=C(CC=CC1(C=C)CC1C)C(CCCC=CC1(C=C)CC1C)(CCCCCCC=C1CC1C)CC(CC=C)(CC=C)CCCCCCC=C.
What is the InChIKey of 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane?
The InChIKey is DYRJONZESISQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H104/c1-12-19-21-23-25-26-30-35-46-65(18-7)51-56(9)61(65)60(41-39-49-64(17-6)53-58(64)11)66(47-36-31-27-28-33-40-59-50-55(59)8,48-38-32-37-45-63(16-5)52-57(63)10)54-62(42-14-3,43-15-4)44-34-29-24-22-20-13-2/h12-18,37,39-40,45,49,55-58H,1-7,19-36,38,41-44,46-48,50-54H2,8-11H3.
What are the key properties of 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane?
1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane has a molecular weight of 897.56 g/mol, XLogP of 21.25, 41 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-9-enyl-1-ethenyl-2-[1-(1-ethenyl-2-methylcyclopropyl)-5-[5-(1-ethenyl-2-methylcyclopropyl)pent-4-enyl]-5-[7-(2-methylcyclopropylidene)heptyl]-7,7-bis(prop-2-enyl)pentadeca-1,14-dien-4-ylidene]-3-methylcyclobutane is sourced from PubChem (CID 173151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).