3-[(Z)-octadec-9-enoxy]propan-1-ol

C21H42O2 — CID 6437034

IUPAC3-[(Z)-octadec-9-enoxy]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCOCCCO
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,22H,2-8,11-21H2,1H3/b10-9-
InChIKeyRHEFZZHALQVVFD-KTKRTIGZSA-N
MW326.57 g/mol
LogP6.42
Rot. Bonds19

About 3-[(Z)-octadec-9-enoxy]propan-1-ol

3-[(Z)-octadec-9-enoxy]propan-1-ol (PubChem CID 6437034) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 3-[(Z)-octadec-9-enoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(Z)-octadec-9-enoxy]propan-1-ol
PubChem CID6437034
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name3-[(Z)-octadec-9-enoxy]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCOCCCO
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,22H,2-8,11-21H2,1H3/b10-9-
InChIKeyRHEFZZHALQVVFD-KTKRTIGZSA-N
XLogP6.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(Z)-octadec-9-enoxy]propan-1-ol?
The IUPAC name of 3-[(Z)-octadec-9-enoxy]propan-1-ol (CID 6437034) is 3-[(Z)-octadec-9-enoxy]propan-1-ol.
What is the SMILES notation for 3-[(Z)-octadec-9-enoxy]propan-1-ol?
The canonical SMILES for 3-[(Z)-octadec-9-enoxy]propan-1-ol is CCCCCCCC/C=C\CCCCCCCCOCCCO.
What is the InChIKey of 3-[(Z)-octadec-9-enoxy]propan-1-ol?
The InChIKey is RHEFZZHALQVVFD-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,22H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of 3-[(Z)-octadec-9-enoxy]propan-1-ol?
3-[(Z)-octadec-9-enoxy]propan-1-ol has a molecular weight of 326.57 g/mol, XLogP of 6.42, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-octadec-9-enoxy]propan-1-ol is sourced from PubChem (CID 6437034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).