1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol

C11H24O4S — CID 116752031

IUPAC1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
SMILESCCC(C)(OC)C(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O4S/c1-5-11(3,15-4)10(12)8-7-9-16(13,14)6-2/h10,12H,5-9H2,1-4H3
InChIKeyYTEFZFSLWSXXII-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.38
Rot. Bonds8

About 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol

1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol (PubChem CID 116752031) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
PubChem CID116752031
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
SMILESCCC(C)(OC)C(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O4S/c1-5-11(3,15-4)10(12)8-7-9-16(13,14)6-2/h10,12H,5-9H2,1-4H3
InChIKeyYTEFZFSLWSXXII-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methylnonan-4-ol
CID 116751924
N-ethyl-1-ethylsulfonyl-5-methoxy-5-methylheptan-4-amine
CID 116757969
(1-ethylsulfonyl-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025337
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
1-ethylsulfonyl-7-methoxyoctan-4-ol
CID 105101726
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
CID 116759105
6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
1-ethylsulfonylnonan-4-ol
CID 65149246

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol?
The IUPAC name of 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol (CID 116752031) is 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol?
The canonical SMILES for 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol is CCC(C)(OC)C(O)CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol?
The InChIKey is YTEFZFSLWSXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-5-11(3,15-4)10(12)8-7-9-16(13,14)6-2/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol?
1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol has a molecular weight of 252.38 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol is sourced from PubChem (CID 116752031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).