(Z)-triacont-9-en-1-ol

C30H60O — CID 170943144

IUPAC(Z)-triacont-9-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h21-22,31H,2-20,23-30H2,1H3/b22-21-
InChIKeyMMQXHCSUYPAZKA-DQRAZIAOSA-N
MW436.81 g/mol
LogP10.70
Rot. Bonds27

About (Z)-triacont-9-en-1-ol

(Z)-triacont-9-en-1-ol (PubChem CID 170943144) has the molecular formula C30H60O and a molecular weight of 436.81 g/mol. Its IUPAC name is (Z)-triacont-9-en-1-ol.

Molecular Properties

Compound Name(Z)-triacont-9-en-1-ol
PubChem CID170943144
Molecular FormulaC30H60O
Molecular Weight436.81 g/mol
Exact Mass436.46
IUPAC Name(Z)-triacont-9-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h21-22,31H,2-20,23-30H2,1H3/b22-21-
InChIKeyMMQXHCSUYPAZKA-DQRAZIAOSA-N
XLogP10.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.81
LogP ≤ 510.70
H-Bond Donors ≤ 51
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

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
azane;(Z)-octadec-9-en-1-ol
CID 166664850
ethanol;octadec-9-en-1-ol
CID 173109565

Frequently Asked Questions

What is the IUPAC name of (Z)-triacont-9-en-1-ol?
The IUPAC name of (Z)-triacont-9-en-1-ol (CID 170943144) is (Z)-triacont-9-en-1-ol.
What is the SMILES notation for (Z)-triacont-9-en-1-ol?
The canonical SMILES for (Z)-triacont-9-en-1-ol is CCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO.
What is the InChIKey of (Z)-triacont-9-en-1-ol?
The InChIKey is MMQXHCSUYPAZKA-DQRAZIAOSA-N. The full InChI is InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h21-22,31H,2-20,23-30H2,1H3/b22-21-.
What are the key properties of (Z)-triacont-9-en-1-ol?
(Z)-triacont-9-en-1-ol has a molecular weight of 436.81 g/mol, XLogP of 10.70, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-triacont-9-en-1-ol is sourced from PubChem (CID 170943144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).