9-ethyl-15,15,15-trimethoxypentadec-7-ene

C20H40O3 — CID 150535991

IUPAC9-ethyl-15,15,15-trimethoxypentadec-7-ene
SMILESCCCCCCC=CC(CC)CCCCCC(OC)(OC)OC
InChIInChI=1S/C20H40O3/c1-6-8-9-10-11-13-16-19(7-2)17-14-12-15-18-20(21-3,22-4)23-5/h13,16,19H,6-12,14-15,17-18H2,1-5H3
InChIKeyIEVXNURGWNFWRD-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.08
Rot. Bonds16

About 9-ethyl-15,15,15-trimethoxypentadec-7-ene

9-ethyl-15,15,15-trimethoxypentadec-7-ene (PubChem CID 150535991) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 9-ethyl-15,15,15-trimethoxypentadec-7-ene.

Molecular Properties

Compound Name9-ethyl-15,15,15-trimethoxypentadec-7-ene
PubChem CID150535991
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name9-ethyl-15,15,15-trimethoxypentadec-7-ene
SMILESCCCCCCC=CC(CC)CCCCCC(OC)(OC)OC
InChIInChI=1S/C20H40O3/c1-6-8-9-10-11-13-16-19(7-2)17-14-12-15-18-20(21-3,22-4)23-5/h13,16,19H,6-12,14-15,17-18H2,1-5H3
InChIKeyIEVXNURGWNFWRD-UHFFFAOYSA-N
XLogP6.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(4,4,4-trimethoxybutyl)dodec-5-ene
CID 151277157
11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
CID 158490711
(E)-6-butylhexacos-7-ene
CID 173194372
(E)-6-ethylundec-4-ene
CID 140796673
1,1,1-trimethoxytridecane
CID 102481821
calcium bis(2-[(E)-dec-1-enyl]tridecyl sulfate)
CID 101290488
calcium bis([(E)-2-hexyltetracos-3-enyl] sulfate)
CID 101289417
calcium bis(2-[(E)-dec-1-enyl]heptadecyl sulfate)
CID 101290504
calcium bis(2-[(E)-undec-1-enyl]pentadecyl sulfate)
CID 101290532
calcium bis([(E)-2-octylundec-3-enyl] sulfate)
CID 101289489
calcium bis(2-[(E)-heptadec-1-enyl]icosyl sulfate)
CID 101290684
calcium bis([(E)-2-hexyldodec-3-enyl] sulfate)
CID 101289369

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-15,15,15-trimethoxypentadec-7-ene?
The IUPAC name of 9-ethyl-15,15,15-trimethoxypentadec-7-ene (CID 150535991) is 9-ethyl-15,15,15-trimethoxypentadec-7-ene.
What is the SMILES notation for 9-ethyl-15,15,15-trimethoxypentadec-7-ene?
The canonical SMILES for 9-ethyl-15,15,15-trimethoxypentadec-7-ene is CCCCCCC=CC(CC)CCCCCC(OC)(OC)OC.
What is the InChIKey of 9-ethyl-15,15,15-trimethoxypentadec-7-ene?
The InChIKey is IEVXNURGWNFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-6-8-9-10-11-13-16-19(7-2)17-14-12-15-18-20(21-3,22-4)23-5/h13,16,19H,6-12,14-15,17-18H2,1-5H3.
What are the key properties of 9-ethyl-15,15,15-trimethoxypentadec-7-ene?
9-ethyl-15,15,15-trimethoxypentadec-7-ene has a molecular weight of 328.54 g/mol, XLogP of 6.08, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-15,15,15-trimethoxypentadec-7-ene is sourced from PubChem (CID 150535991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).