(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol

C10H18OS — CID 134896261

IUPAC(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
SMILESCCC/C=C/C(O)C1(SC)CC1
InChIInChI=1S/C10H18OS/c1-3-4-5-6-9(11)10(12-2)7-8-10/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyXETZHFGMAFMGCV-AATRIKPKSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds5

About (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol

(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol (PubChem CID 134896261) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
PubChem CID134896261
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
SMILESCCC/C=C/C(O)C1(SC)CC1
InChIInChI=1S/C10H18OS/c1-3-4-5-6-9(11)10(12-2)7-8-10/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyXETZHFGMAFMGCV-AATRIKPKSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-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

(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
2-Methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol
CID 123971964
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234
(1S,4S)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254257
(1R,4R)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254260
(1S,4R)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254316
(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
CID 10997322
(E,2R,5R)-6-methyl-5-methylsulfanylhept-3-en-2-ol
CID 11321254
5,5-Dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
CID 11805040
2-Methyl-7-methylsulfanylhept-2-en-4-ol
CID 103089941
3-Methyl-1-(1-methylsulfanylcyclopropyl)but-2-en-1-ol
CID 130506381

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol?
The IUPAC name of (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol (CID 134896261) is (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol.
What is the SMILES notation for (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol?
The canonical SMILES for (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol is CCC/C=C/C(O)C1(SC)CC1.
What is the InChIKey of (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol?
The InChIKey is XETZHFGMAFMGCV-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-4-5-6-9(11)10(12-2)7-8-10/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol?
(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol is sourced from PubChem (CID 134896261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).