(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene

C10H16S — CID 118518974

IUPAC(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene
SMILESC=C/C(=C/C)SC(C)/C=C\C
InChIInChI=1S/C10H16S/c1-5-8-9(4)11-10(6-2)7-3/h5-9H,2H2,1,3-4H3/b8-5-,10-7-
InChIKeyFGZTVJJNBFWOOO-OUOSTHCTSA-N
MW168.30 g/mol
LogP3.77
Rot. Bonds4

About (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene

(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene (PubChem CID 118518974) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene.

Molecular Properties

Compound Name(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene
PubChem CID118518974
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene
SMILESC=C/C(=C/C)SC(C)/C=C\C
InChIInChI=1S/C10H16S/c1-5-8-9(4)11-10(6-2)7-3/h5-9H,2H2,1,3-4H3/b8-5-,10-7-
InChIKeyFGZTVJJNBFWOOO-OUOSTHCTSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene?
The IUPAC name of (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene (CID 118518974) is (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene.
What is the SMILES notation for (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene?
The canonical SMILES for (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene is C=C/C(=C/C)SC(C)/C=C\C.
What is the InChIKey of (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene?
The InChIKey is FGZTVJJNBFWOOO-OUOSTHCTSA-N. The full InChI is InChI=1S/C10H16S/c1-5-8-9(4)11-10(6-2)7-3/h5-9H,2H2,1,3-4H3/b8-5-,10-7-.
What are the key properties of (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene?
(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene has a molecular weight of 168.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene is sourced from PubChem (CID 118518974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).