(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol

C9H16O2S — CID 16681245

IUPAC(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol
SMILESC=C(/C=C\CCCO)S(=O)CC
InChIInChI=1S/C9H16O2S/c1-3-12(11)9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-
InChIKeyWBTDFTHDHHCHDG-ALCCZGGFSA-N
MW188.29 g/mol
LogP1.60
Rot. Bonds6

About (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol

(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol (PubChem CID 16681245) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol
PubChem CID16681245
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol
SMILESC=C(/C=C\CCCO)S(=O)CC
InChIInChI=1S/C9H16O2S/c1-3-12(11)9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-
InChIKeyWBTDFTHDHHCHDG-ALCCZGGFSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-6-ethylsulfinylhepta-4,6-dien-1-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

[(3E)-octa-1,3-dien-2-yl]sulfinylbenzene
CID 46928436
(Z)-7-methylidenedodec-5-en-1-ol
CID 59925998
(E)-nonadec-4-en-1-ol
CID 87881885
(Z)-hept-4-en-1-ol
CID 5367536
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
(3E)-2-bromonona-1,3-diene
CID 10512335
(E)-heptadec-5-en-1-ol
CID 170849266
5-(dimethylamino)pent-4-en-1-ol
CID 123150566
(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

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol?
The IUPAC name of (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol (CID 16681245) is (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol is C=C(/C=C\CCCO)S(=O)CC.
What is the InChIKey of (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol?
The InChIKey is WBTDFTHDHHCHDG-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-12(11)9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol?
(4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol has a molecular weight of 188.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-ethylsulfinylhepta-4,6-dien-1-ol is sourced from PubChem (CID 16681245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).