2-methyl-7-methylsulfanylhept-2-en-4-ol

C9H18OS — CID 103089941

IUPAC2-methyl-7-methylsulfanylhept-2-en-4-ol
SMILESCSCCCC(O)C=C(C)C
InChIInChI=1S/C9H18OS/c1-8(2)7-9(10)5-4-6-11-3/h7,9-10H,4-6H2,1-3H3
InChIKeyAJDYHSVLZLLMPY-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-7-methylsulfanylhept-2-en-4-ol

2-methyl-7-methylsulfanylhept-2-en-4-ol (PubChem CID 103089941) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methyl-7-methylsulfanylhept-2-en-4-ol.

Molecular Properties

Compound Name2-methyl-7-methylsulfanylhept-2-en-4-ol
PubChem CID103089941
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-methyl-7-methylsulfanylhept-2-en-4-ol
SMILESCSCCCC(O)C=C(C)C
InChIInChI=1S/C9H18OS/c1-8(2)7-9(10)5-4-6-11-3/h7,9-10H,4-6H2,1-3H3
InChIKeyAJDYHSVLZLLMPY-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[2-(hydroxymethyl)-1,3-dithian-2-yl]-2-methylbut-2-en-1-ol
CID 11356765
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
CID 134896261
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol
CID 18786824
(E)-2-methyl-5-methylsulfanylpent-2-en-1-ol
CID 57829359
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(3Z)-3-ethylidenethian-4-ol
CID 68033469
2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
2-Methyl-5-methylsulfanylpent-2-en-1-ol
CID 76577522
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylsulfanylhept-2-en-4-ol?
The IUPAC name of 2-methyl-7-methylsulfanylhept-2-en-4-ol (CID 103089941) is 2-methyl-7-methylsulfanylhept-2-en-4-ol.
What is the SMILES notation for 2-methyl-7-methylsulfanylhept-2-en-4-ol?
The canonical SMILES for 2-methyl-7-methylsulfanylhept-2-en-4-ol is CSCCCC(O)C=C(C)C.
What is the InChIKey of 2-methyl-7-methylsulfanylhept-2-en-4-ol?
The InChIKey is AJDYHSVLZLLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)7-9(10)5-4-6-11-3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-7-methylsulfanylhept-2-en-4-ol?
2-methyl-7-methylsulfanylhept-2-en-4-ol has a molecular weight of 174.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylsulfanylhept-2-en-4-ol is sourced from PubChem (CID 103089941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).