(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol

C8H14OS — CID 130506580

IUPAC(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
SMILESCSC1(/C=C/C(C)O)CC1
InChIInChI=1S/C8H14OS/c1-7(9)3-4-8(10-2)5-6-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+
InChIKeyXHVRXAYYTYNWHW-ONEGZZNKSA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds3

About (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol

(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol (PubChem CID 130506580) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
PubChem CID130506580
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
SMILESCSC1(/C=C/C(C)O)CC1
InChIInChI=1S/C8H14OS/c1-7(9)3-4-8(10-2)5-6-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+
InChIKeyXHVRXAYYTYNWHW-ONEGZZNKSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-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

4,4,5,5-tetramethyl-2-[(E)-2-(1-methylsulfanylcyclopropyl)ethenyl]-1,3,2-dioxaborolane
CID 165465545
1-methylsulfanylcyclopentane-1-carbaldehyde
CID 115011620
trans-(3R,6R)-1-[(Z)-3-hydroxybut-1-enyl]-2,2,3,6-tetramethylcyclohexan-1-ol
CID 67390139
1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexane-1,4-diol
CID 23902364
(Z)-4-hydroxypent-2-enal
CID 89185005
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
(E)-5-hydroxy-2-propan-2-ylhex-3-enoic acid
CID 126596503
(1S,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-6-methoxy-1,5,5-trimethylcyclohexane-1,3-diol
CID 91885086
5-aminopent-3-en-2-ol
CID 90709459
(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496
(1S,2S,4R)-1-[(3S)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
CID 163078564

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol (CID 130506580) is (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol is CSC1(/C=C/C(C)O)CC1.
What is the InChIKey of (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol?
The InChIKey is XHVRXAYYTYNWHW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14OS/c1-7(9)3-4-8(10-2)5-6-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol?
(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol is sourced from PubChem (CID 130506580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).