2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol

C9H18OS — CID 66104004

IUPAC2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol
SMILESC=C(CC)CSCC(C)CO
InChIInChI=1S/C9H18OS/c1-4-8(2)6-11-7-9(3)5-10/h9-10H,2,4-7H2,1,3H3
InChIKeyYZEWVUDPFMPAMB-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol

2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol (PubChem CID 66104004) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol
PubChem CID66104004
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol
SMILESC=C(CC)CSCC(C)CO
InChIInChI=1S/C9H18OS/c1-4-8(2)6-11-7-9(3)5-10/h9-10H,2,4-7H2,1,3H3
InChIKeyYZEWVUDPFMPAMB-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanol
CID 176430968
2-((3-Methylbut-3-enyl)thio)ethanol
CID 3019038
2-((2-Methylbut-3-enyl)thio)ethanol
CID 3019039
(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
(3S)-3-[(2S)-1-hydroxypropan-2-yl]sulfanyl-2-methylidenebutan-1-ol
CID 89167257
2-[2-(Propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 89211763
2-(3,3-Dimethylbut-1-en-2-ylsulfanyl)ethanol
CID 124100081
3-(1,3,4,6-Tetramethyl-2,3,6,7-tetrahydrothiepin-1-yl)propan-1-ol
CID 134343375
4-(3-Methylbut-3-enylsulfanyl)but-1-en-2-ol
CID 138536156
2-(3-Methylidenepentylsulfanyl)ethanol
CID 141421839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol (CID 66104004) is 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol is C=C(CC)CSCC(C)CO.
What is the InChIKey of 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol?
The InChIKey is YZEWVUDPFMPAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-4-8(2)6-11-7-9(3)5-10/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol?
2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol has a molecular weight of 174.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol is sourced from PubChem (CID 66104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).