2-methylsulfonylpentadecan-3-ol

C16H34O3S — CID 115789539

IUPAC2-methylsulfonylpentadecan-3-ol
SMILESCCCCCCCCCCCCC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C16H34O3S/c1-4-5-6-7-8-9-10-11-12-13-14-16(17)15(2)20(3,18)19/h15-17H,4-14H2,1-3H3
InChIKeyCNMHNWCINWGLCJ-UHFFFAOYSA-N
MW306.51 g/mol
LogP4.09
Rot. Bonds13

About 2-methylsulfonylpentadecan-3-ol

2-methylsulfonylpentadecan-3-ol (PubChem CID 115789539) has the molecular formula C16H34O3S and a molecular weight of 306.51 g/mol. Its IUPAC name is 2-methylsulfonylpentadecan-3-ol.

Molecular Properties

Compound Name2-methylsulfonylpentadecan-3-ol
PubChem CID115789539
Molecular FormulaC16H34O3S
Molecular Weight306.51 g/mol
Exact Mass306.22
IUPAC Name2-methylsulfonylpentadecan-3-ol
SMILESCCCCCCCCCCCCC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C16H34O3S/c1-4-5-6-7-8-9-10-11-12-13-14-16(17)15(2)20(3,18)19/h15-17H,4-14H2,1-3H3
InChIKeyCNMHNWCINWGLCJ-UHFFFAOYSA-N
XLogP4.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroxynonadecylsulfonyl)nonadecane-2,3-diol
CID 88828772
nonacosane-14,15-diol
CID 91509633
2-methylsulfonyloctane
CID 121274607
(2R,3S)-dodecane-2,3-diol
CID 163394646
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
2-methylsulfonylnonan-3-ylhydrazine
CID 105294018
7-methylhexadecan-8-ol
CID 122652609

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpentadecan-3-ol?
The IUPAC name of 2-methylsulfonylpentadecan-3-ol (CID 115789539) is 2-methylsulfonylpentadecan-3-ol.
What is the SMILES notation for 2-methylsulfonylpentadecan-3-ol?
The canonical SMILES for 2-methylsulfonylpentadecan-3-ol is CCCCCCCCCCCCC(O)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpentadecan-3-ol?
The InChIKey is CNMHNWCINWGLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3S/c1-4-5-6-7-8-9-10-11-12-13-14-16(17)15(2)20(3,18)19/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-methylsulfonylpentadecan-3-ol?
2-methylsulfonylpentadecan-3-ol has a molecular weight of 306.51 g/mol, XLogP of 4.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpentadecan-3-ol is sourced from PubChem (CID 115789539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).