4-(benzenesulfonyl)-2-methylhept-6-en-1-ol

C14H20O3S — CID 142673689

IUPAC4-(benzenesulfonyl)-2-methylhept-6-en-1-ol
SMILESC=CCC(CC(C)CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O3S/c1-3-7-14(10-12(2)11-15)18(16,17)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3
InChIKeySCVPDLPMLZOACI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.42
Rot. Bonds7

About 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol

4-(benzenesulfonyl)-2-methylhept-6-en-1-ol (PubChem CID 142673689) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-methylhept-6-en-1-ol
PubChem CID142673689
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name4-(benzenesulfonyl)-2-methylhept-6-en-1-ol
SMILESC=CCC(CC(C)CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O3S/c1-3-7-14(10-12(2)11-15)18(16,17)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3
InChIKeySCVPDLPMLZOACI-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
2-(Phenylsulfonyl)ethanol
CID 30202
4-[(5-Hydroxypentyl)sulfanyl]benzene-1-sulfonamide
CID 13960357
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
9-(Benzenesulfonyl)nona-2,7-diyn-1-ol
CID 44326929
5-Phenylsulfanylpentan-1-ol
CID 346015
1-(Benzenesulfonyl)propan-2-ol
CID 547258
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
3-Methylbutylsulfonylbenzene
CID 11229611
2-Methyl-3-phenylthiopropanol
CID 12573588
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol?
The IUPAC name of 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol (CID 142673689) is 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol.
What is the SMILES notation for 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol?
The canonical SMILES for 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol is C=CCC(CC(C)CO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol?
The InChIKey is SCVPDLPMLZOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-3-7-14(10-12(2)11-15)18(16,17)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3.
What are the key properties of 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol?
4-(benzenesulfonyl)-2-methylhept-6-en-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-methylhept-6-en-1-ol is sourced from PubChem (CID 142673689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).