4-methyl-1-propylsulfanylheptan-2-ol

C11H24OS — CID 65130129

IUPAC4-methyl-1-propylsulfanylheptan-2-ol
SMILESCCCSCC(O)CC(C)CCC
InChIInChI=1S/C11H24OS/c1-4-6-10(3)8-11(12)9-13-7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyGQMZNMKFASLVRR-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.32
Rot. Bonds8

About 4-methyl-1-propylsulfanylheptan-2-ol

4-methyl-1-propylsulfanylheptan-2-ol (PubChem CID 65130129) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 4-methyl-1-propylsulfanylheptan-2-ol.

Molecular Properties

Compound Name4-methyl-1-propylsulfanylheptan-2-ol
PubChem CID65130129
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name4-methyl-1-propylsulfanylheptan-2-ol
SMILESCCCSCC(O)CC(C)CCC
InChIInChI=1S/C11H24OS/c1-4-6-10(3)8-11(12)9-13-7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyGQMZNMKFASLVRR-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyloctan-3-ol
CID 19931017
N,4-dimethyl-1-propylsulfanylheptan-2-amine
CID 65129203
1-propylsulfanyloctan-2-ol
CID 65130128
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
1-propylsulfanylhex-5-en-2-ol
CID 65129712
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
1-ethoxy-5-methyloctan-3-ol
CID 105089791
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylsulfanylheptan-2-ol?
The IUPAC name of 4-methyl-1-propylsulfanylheptan-2-ol (CID 65130129) is 4-methyl-1-propylsulfanylheptan-2-ol.
What is the SMILES notation for 4-methyl-1-propylsulfanylheptan-2-ol?
The canonical SMILES for 4-methyl-1-propylsulfanylheptan-2-ol is CCCSCC(O)CC(C)CCC.
What is the InChIKey of 4-methyl-1-propylsulfanylheptan-2-ol?
The InChIKey is GQMZNMKFASLVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-4-6-10(3)8-11(12)9-13-7-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-propylsulfanylheptan-2-ol?
4-methyl-1-propylsulfanylheptan-2-ol has a molecular weight of 204.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylsulfanylheptan-2-ol is sourced from PubChem (CID 65130129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).