(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol

C18H32OS — CID 59871697

IUPAC(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol
SMILESCCCC/C=C\CSC/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C18H32OS/c1-3-5-7-8-12-16-20-17-13-9-11-15-18(19)14-10-6-4-2/h8-9,11-13,15,18-19H,3-7,10,14,16-17H2,1-2H3/b12-8-,13-9-,15-11+/t18-/m0/s1
InChIKeyOPQZEDWIJUDMLF-AWFKHOHSSA-N
MW296.52 g/mol
LogP5.52
Rot. Bonds13

About (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol

(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol (PubChem CID 59871697) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol.

Molecular Properties

Compound Name(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol
PubChem CID59871697
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol
SMILESCCCC/C=C\CSC/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C18H32OS/c1-3-5-7-8-12-16-20-17-13-9-11-15-18(19)14-10-6-4-2/h8-9,11-13,15,18-19H,3-7,10,14,16-17H2,1-2H3/b12-8-,13-9-,15-11+/t18-/m0/s1
InChIKeyOPQZEDWIJUDMLF-AWFKHOHSSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.52
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol 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

(7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraen-6-ol
CID 44322887
(E)-7-[2-[(1R)-1-hydroxyhexyl]-1,3-dithian-2-yl]hept-4-en-3-ol
CID 135030724
(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol
CID 58659705
(7E,9Z,15Z)-icosa-7,9,15-trien-6-ol
CID 59125703
(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol
CID 59125743
(2Z,4E,6S)-1-[(Z)-oct-3-enyl]sulfanylundeca-2,4-dien-6-ol
CID 59871691
(6S,7E,9Z)-12-[(Z)-hept-2-enyl]sulfanyldodeca-7,9-dien-6-ol
CID 59977221
(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol
CID 89023852
2-Methyl-4,6-bis(octylsulfanylmethylidene)cyclohex-2-en-1-ol
CID 141059066
(E)-11,11-bis(3-sulfanylpropylsulfanyl)undec-3-en-5-ol
CID 141545364
(7E,9E)-12-[(E)-hept-2-enyl]sulfanyldodeca-7,9-dien-6-ol
CID 20714509
(7E,9E,15E)-icosa-7,9,15-trien-6-ol
CID 23523147

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol?
The IUPAC name of (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol (CID 59871697) is (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol.
What is the SMILES notation for (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol?
The canonical SMILES for (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol is CCCC/C=C\CSC/C=C\C=C\[C@@H](O)CCCCC.
What is the InChIKey of (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol?
The InChIKey is OPQZEDWIJUDMLF-AWFKHOHSSA-N. The full InChI is InChI=1S/C18H32OS/c1-3-5-7-8-12-16-20-17-13-9-11-15-18(19)14-10-6-4-2/h8-9,11-13,15,18-19H,3-7,10,14,16-17H2,1-2H3/b12-8-,13-9-,15-11+/t18-/m0/s1.
What are the key properties of (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol?
(2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol has a molecular weight of 296.52 g/mol, XLogP of 5.52, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6S)-1-[(Z)-hept-2-enyl]sulfanylundeca-2,4-dien-6-ol is sourced from PubChem (CID 59871697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).