(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol

C12H24OS — CID 139306066

IUPAC(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol
SMILESCCC(C)/C(=C/CO)SC(C)(C)CC
InChIInChI=1S/C12H24OS/c1-6-10(3)11(8-9-13)14-12(4,5)7-2/h8,10,13H,6-7,9H2,1-5H3/b11-8-
InChIKeyPJMWLGWCKNZSQC-FLIBITNWSA-N
MW216.39 g/mol
LogP3.83
Rot. Bonds6

About (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol

(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol (PubChem CID 139306066) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol
PubChem CID139306066
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol
SMILESCCC(C)/C(=C/CO)SC(C)(C)CC
InChIInChI=1S/C12H24OS/c1-6-10(3)11(8-9-13)14-12(4,5)7-2/h8,10,13H,6-7,9H2,1-5H3/b11-8-
InChIKeyPJMWLGWCKNZSQC-FLIBITNWSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol?
The IUPAC name of (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol (CID 139306066) is (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol.
What is the SMILES notation for (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol?
The canonical SMILES for (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol is CCC(C)/C(=C/CO)SC(C)(C)CC.
What is the InChIKey of (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol?
The InChIKey is PJMWLGWCKNZSQC-FLIBITNWSA-N. The full InChI is InChI=1S/C12H24OS/c1-6-10(3)11(8-9-13)14-12(4,5)7-2/h8,10,13H,6-7,9H2,1-5H3/b11-8-.
What are the key properties of (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol?
(Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol has a molecular weight of 216.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-(2-methylbutan-2-ylsulfanyl)hex-2-en-1-ol is sourced from PubChem (CID 139306066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).