4-(2-methylprop-2-enylsulfanyl)butan-1-ol

C8H16OS — CID 10012184

IUPAC4-(2-methylprop-2-enylsulfanyl)butan-1-ol
SMILESC=C(C)CSCCCCO
InChIInChI=1S/C8H16OS/c1-8(2)7-10-6-4-3-5-9/h9H,1,3-7H2,2H3
InChIKeyQHOOGFHCTLZVHI-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds6

About 4-(2-methylprop-2-enylsulfanyl)butan-1-ol

4-(2-methylprop-2-enylsulfanyl)butan-1-ol (PubChem CID 10012184) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylprop-2-enylsulfanyl)butan-1-ol
PubChem CID10012184
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name4-(2-methylprop-2-enylsulfanyl)butan-1-ol
SMILESC=C(C)CSCCCCO
InChIInChI=1S/C8H16OS/c1-8(2)7-10-6-4-3-5-9/h9H,1,3-7H2,2H3
InChIKeyQHOOGFHCTLZVHI-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
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

4-[3-(Fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol
CID 156543506
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
2-[(2-Methylprop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 14602236
3-Tert-butylsulfanylbutan-1-ol
CID 14940664
2-Tert-butylsulfanylbutan-1-ol
CID 53813155
3-Heptylsulfanyl-2-methylprop-1-en-1-ol
CID 59116658
2-[2-(2-Hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 87094059
1-Hydroxypentyl-bis(prop-2-enyl)sulfanium
CID 87747114
2,2-Dimethyl-3-prop-2-enylsulfanylpropan-1-ol
CID 87784881
1-Prop-2-enylsulfanylpentan-1-ol
CID 88442079

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The IUPAC name of 4-(2-methylprop-2-enylsulfanyl)butan-1-ol (CID 10012184) is 4-(2-methylprop-2-enylsulfanyl)butan-1-ol.
What is the SMILES notation for 4-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The canonical SMILES for 4-(2-methylprop-2-enylsulfanyl)butan-1-ol is C=C(C)CSCCCCO.
What is the InChIKey of 4-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The InChIKey is QHOOGFHCTLZVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2)7-10-6-4-3-5-9/h9H,1,3-7H2,2H3.
What are the key properties of 4-(2-methylprop-2-enylsulfanyl)butan-1-ol?
4-(2-methylprop-2-enylsulfanyl)butan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enylsulfanyl)butan-1-ol is sourced from PubChem (CID 10012184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).