(Z)-1-butoxyheptadec-8-ene

C21H42O — CID 87205101

IUPAC(Z)-1-butoxyheptadec-8-ene
SMILESCCCCCCCC/C=C\CCCCCCCOCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
InChIKeyCIWMEEWDORIEBF-SEYXRHQNSA-N
MW310.57 g/mol
LogP7.45
Rot. Bonds18

About (Z)-1-butoxyheptadec-8-ene

(Z)-1-butoxyheptadec-8-ene (PubChem CID 87205101) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is (Z)-1-butoxyheptadec-8-ene.

Molecular Properties

Compound Name(Z)-1-butoxyheptadec-8-ene
PubChem CID87205101
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name(Z)-1-butoxyheptadec-8-ene
SMILESCCCCCCCC/C=C\CCCCCCCOCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
InChIKeyCIWMEEWDORIEBF-SEYXRHQNSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91358832
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-13-propoxytridec-5-ene
CID 87204974
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-1-ethoxypentadec-7-ene
CID 87516958
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
15-ethoxypentadec-7-ene
CID 91170991
2-heptadec-8-enoxy-N-methylethanamine
CID 72521648
2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139597376
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butoxyheptadec-8-ene?
The IUPAC name of (Z)-1-butoxyheptadec-8-ene (CID 87205101) is (Z)-1-butoxyheptadec-8-ene.
What is the SMILES notation for (Z)-1-butoxyheptadec-8-ene?
The canonical SMILES for (Z)-1-butoxyheptadec-8-ene is CCCCCCCC/C=C\CCCCCCCOCCCC.
What is the InChIKey of (Z)-1-butoxyheptadec-8-ene?
The InChIKey is CIWMEEWDORIEBF-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-.
What are the key properties of (Z)-1-butoxyheptadec-8-ene?
(Z)-1-butoxyheptadec-8-ene has a molecular weight of 310.57 g/mol, XLogP of 7.45, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butoxyheptadec-8-ene is sourced from PubChem (CID 87205101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).