(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol

C16H28S — CID 138498137

IUPAC(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol
SMILESC/C=C(S)\C=C/C(=C/CC)C(CCC)CCC
InChIInChI=1S/C16H28S/c1-5-9-14(10-6-2)15(11-7-3)12-13-16(17)8-4/h8,11-14,17H,5-7,9-10H2,1-4H3/b13-12-,15-11-,16-8+
InChIKeyYCJSAWMSKJDTLR-UNZYHWDRSA-N
MW252.47 g/mol
LogP5.93
Rot. Bonds8

About (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol

(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol (PubChem CID 138498137) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol.

Molecular Properties

Compound Name(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol
PubChem CID138498137
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol
SMILESC/C=C(S)\C=C/C(=C/CC)C(CCC)CCC
InChIInChI=1S/C16H28S/c1-5-9-14(10-6-2)15(11-7-3)12-13-16(17)8-4/h8,11-14,17H,5-7,9-10H2,1-4H3/b13-12-,15-11-,16-8+
InChIKeyYCJSAWMSKJDTLR-UNZYHWDRSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol 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

(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
CID 130217220
but-1-ene-1,1-dithiol
CID 87922875
4-methylidene-5-propyloct-2-ene
CID 90714762
2-ethylpentanethioic S-acid
CID 18377889
(2E,4Z)-5-[(Z)-prop-1-enyl]-6-propylnona-2,4-dienenitrile
CID 130216561
(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one
CID 176969057
2-(hydroxymethyl)pentanedithioic acid
CID 88671551
N-methyl-3-prop-1-enylhex-3-en-2-amine
CID 123966839
(2Z,4E)-4-(1-methylsulfanylethyl)hepta-2,4-diene
CID 130428139
(E)-N-methyl-6-propylnon-3-en-5-imine
CID 153374577
2-propylpentanoic acid;2-propylpent-2-enoic acid
CID 161489381
acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
CID 144983518

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol?
The IUPAC name of (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol (CID 138498137) is (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol.
What is the SMILES notation for (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol?
The canonical SMILES for (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol is C/C=C(S)\C=C/C(=C/CC)C(CCC)CCC.
What is the InChIKey of (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol?
The InChIKey is YCJSAWMSKJDTLR-UNZYHWDRSA-N. The full InChI is InChI=1S/C16H28S/c1-5-9-14(10-6-2)15(11-7-3)12-13-16(17)8-4/h8,11-14,17H,5-7,9-10H2,1-4H3/b13-12-,15-11-,16-8+.
What are the key properties of (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol?
(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol has a molecular weight of 252.47 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol is sourced from PubChem (CID 138498137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).