2-methyl-5-methylsulfanylpent-2-en-1-ol

C7H14OS — CID 76577522

IUPAC2-methyl-5-methylsulfanylpent-2-en-1-ol
SMILESCSCCC=C(C)CO
InChIInChI=1S/C7H14OS/c1-7(6-8)4-3-5-9-2/h4,8H,3,5-6H2,1-2H3
InChIKeyDLTWJOXJKGQFAQ-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-5-methylsulfanylpent-2-en-1-ol

2-methyl-5-methylsulfanylpent-2-en-1-ol (PubChem CID 76577522) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanylpent-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-5-methylsulfanylpent-2-en-1-ol
PubChem CID76577522
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-5-methylsulfanylpent-2-en-1-ol
SMILESCSCCC=C(C)CO
InChIInChI=1S/C7H14OS/c1-7(6-8)4-3-5-9-2/h4,8H,3,5-6H2,1-2H3
InChIKeyDLTWJOXJKGQFAQ-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.68
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

2-Buten-1-ol, 2-(methylthio)methyl-
CID 6435612
(2,2-Dimethyl-2,5-dihydrothiophen-3-yl)methanol
CID 130127735
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
2,3-Dihydrothiophen-5-ylmethanol
CID 10953472
2-Hydroxymethyl-4-methyl-2,5-dihydrothiophene
CID 12589176
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(5,5-dimethyl-2H-thiophen-3-yl)methanol
CID 19003454
(E)-2-methyl-5-methylsulfanylpent-2-en-1-ol
CID 57829359
(2-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 67962819
(3Z)-3-ethylidenethian-4-ol
CID 68033469
2-(Thian-4-ylidene)ethanol
CID 68829369
(3-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 70248689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanylpent-2-en-1-ol?
The IUPAC name of 2-methyl-5-methylsulfanylpent-2-en-1-ol (CID 76577522) is 2-methyl-5-methylsulfanylpent-2-en-1-ol.
What is the SMILES notation for 2-methyl-5-methylsulfanylpent-2-en-1-ol?
The canonical SMILES for 2-methyl-5-methylsulfanylpent-2-en-1-ol is CSCCC=C(C)CO.
What is the InChIKey of 2-methyl-5-methylsulfanylpent-2-en-1-ol?
The InChIKey is DLTWJOXJKGQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(6-8)4-3-5-9-2/h4,8H,3,5-6H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanylpent-2-en-1-ol?
2-methyl-5-methylsulfanylpent-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanylpent-2-en-1-ol is sourced from PubChem (CID 76577522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).