(Z)-icos-9-en-1-ol;hydrate

C20H42O2 — CID 174442786

IUPAC(Z)-icos-9-en-1-ol;hydrate
SMILESCCCCCCCCCC/C=C\CCCCCCCCO.O
InChIInChI=1S/C20H40O.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h11-12,21H,2-10,13-20H2,1H3;1H2/b12-11-;
InChIKeyXFUDOHJVABOQJT-AFEZEDKISA-N
MW314.55 g/mol
LogP5.97
Rot. Bonds17

About (Z)-icos-9-en-1-ol;hydrate

(Z)-icos-9-en-1-ol;hydrate (PubChem CID 174442786) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is (Z)-icos-9-en-1-ol;hydrate.

Molecular Properties

Compound Name(Z)-icos-9-en-1-ol;hydrate
PubChem CID174442786
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name(Z)-icos-9-en-1-ol;hydrate
SMILESCCCCCCCCCC/C=C\CCCCCCCCO.O
InChIInChI=1S/C20H40O.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h11-12,21H,2-10,13-20H2,1H3;1H2/b12-11-;
InChIKeyXFUDOHJVABOQJT-AFEZEDKISA-N
XLogP5.97
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.97
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'}

Analyze (Z)-icos-9-en-1-ol;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
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)-icos-9-en-1-ol;hydrate?
The IUPAC name of (Z)-icos-9-en-1-ol;hydrate (CID 174442786) is (Z)-icos-9-en-1-ol;hydrate.
What is the SMILES notation for (Z)-icos-9-en-1-ol;hydrate?
The canonical SMILES for (Z)-icos-9-en-1-ol;hydrate is CCCCCCCCCC/C=C\CCCCCCCCO.O.
What is the InChIKey of (Z)-icos-9-en-1-ol;hydrate?
The InChIKey is XFUDOHJVABOQJT-AFEZEDKISA-N. The full InChI is InChI=1S/C20H40O.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h11-12,21H,2-10,13-20H2,1H3;1H2/b12-11-;.
What are the key properties of (Z)-icos-9-en-1-ol;hydrate?
(Z)-icos-9-en-1-ol;hydrate has a molecular weight of 314.55 g/mol, XLogP of 5.97, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-icos-9-en-1-ol;hydrate is sourced from PubChem (CID 174442786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).