4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol

C8H16OS2 — CID 11052491

IUPAC4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
SMILESCSC(=CC(O)C(C)C)SC
InChIInChI=1S/C8H16OS2/c1-6(2)7(9)5-8(10-3)11-4/h5-7,9H,1-4H3
InChIKeyMSTBQSRQFDTWGT-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.57
Rot. Bonds4

About 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol

4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol (PubChem CID 11052491) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
PubChem CID11052491
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
SMILESCSC(=CC(O)C(C)C)SC
InChIInChI=1S/C8H16OS2/c1-6(2)7(9)5-8(10-3)11-4/h5-7,9H,1-4H3
InChIKeyMSTBQSRQFDTWGT-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
CID 10944329
2-Methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
CID 13003572
(E)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
CID 14339841
1,1-Bis(methylsulfanyl)pent-1-en-3-ol
CID 21673583
(E)-1-butylsulfanyl-1-methylsulfanylpent-1-en-3-ol
CID 21673585
(E)-1-butylsulfanyl-4-methyl-1-methylsulfanylpent-1-en-3-ol
CID 21673586
(E)-1-ethylsulfanyl-4-methylpent-1-en-3-ol
CID 73953395

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol?
The IUPAC name of 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol (CID 11052491) is 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol.
What is the SMILES notation for 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol?
The canonical SMILES for 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol is CSC(=CC(O)C(C)C)SC.
What is the InChIKey of 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol?
The InChIKey is MSTBQSRQFDTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-6(2)7(9)5-8(10-3)11-4/h5-7,9H,1-4H3.
What are the key properties of 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol?
4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol has a molecular weight of 192.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol is sourced from PubChem (CID 11052491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).