(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol

C10H18OS — CID 13263786

IUPAC(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/SC(C)C
InChIInChI=1S/C10H18OS/c1-4-6-10(11)7-5-8-12-9(2)3/h4-6,8-11H,7H2,1-3H3/b6-4+,8-5+
InChIKeyJUNHXCDZWRYSQW-HLQBBKRNSA-N
MW186.32 g/mol
LogP2.97
Rot. Bonds5

About (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol

(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol (PubChem CID 13263786) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
PubChem CID13263786
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/SC(C)C
InChIInChI=1S/C10H18OS/c1-4-6-10(11)7-5-8-12-9(2)3/h4-6,8-11H,7H2,1-3H3/b6-4+,8-5+
InChIKeyJUNHXCDZWRYSQW-HLQBBKRNSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-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)-1-(2-Methyl-1,3-dithian-2-yl)hex-2-en-1-ol
CID 101120970
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
(4R)-2,3,4,7-tetrahydrothiepin-4-ol
CID 15892961
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
(Z)-7-methylsulfinylhept-3-en-2-ol
CID 135234917
(E,3S)-7-sulfanylhept-4-en-3-ol
CID 141266458
1-(2-Hydroxyhex-4-enylsulfanyl)hex-4-en-2-ol
CID 141429813
6-Sulfanylhex-4-en-3-ol
CID 141554684
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234
(E)-2-[(Z)-prop-1-enyl]sulfanylpent-2-en-1-ol
CID 143392763

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The IUPAC name of (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol (CID 13263786) is (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol.
What is the SMILES notation for (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The canonical SMILES for (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol is C/C=C/C(O)C/C=C/SC(C)C.
What is the InChIKey of (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The InChIKey is JUNHXCDZWRYSQW-HLQBBKRNSA-N. The full InChI is InChI=1S/C10H18OS/c1-4-6-10(11)7-5-8-12-9(2)3/h4-6,8-11H,7H2,1-3H3/b6-4+,8-5+.
What are the key properties of (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol has a molecular weight of 186.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol is sourced from PubChem (CID 13263786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).