10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol

C18H26O3S — CID 71349271

IUPAC10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
SMILESCC(=CCS(=O)(=O)c1ccccc1)CCC=C(C)CCCO
InChIInChI=1S/C18H26O3S/c1-16(10-7-14-19)8-6-9-17(2)13-15-22(20,21)18-11-4-3-5-12-18/h3-5,8,11-13,19H,6-7,9-10,14-15H2,1-2H3
InChIKeyROLUSSHOGVADRE-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.91
Rot. Bonds9

About 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol

10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol (PubChem CID 71349271) has the molecular formula C18H26O3S and a molecular weight of 322.47 g/mol. Its IUPAC name is 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol.

Molecular Properties

Compound Name10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
PubChem CID71349271
Molecular FormulaC18H26O3S
Molecular Weight322.47 g/mol
Exact Mass322.16
IUPAC Name10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
SMILESCC(=CCS(=O)(=O)c1ccccc1)CCC=C(C)CCCO
InChIInChI=1S/C18H26O3S/c1-16(10-7-14-19)8-6-9-17(2)13-15-22(20,21)18-11-4-3-5-12-18/h3-5,8,11-13,19H,6-7,9-10,14-15H2,1-2H3
InChIKeyROLUSSHOGVADRE-UHFFFAOYSA-N
XLogP3.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.91
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

[(E)-3-methyldodec-2-enyl]sulfonylbenzene
CID 10990909
[(2E,6E)-8-bromo-2,6-dimethylocta-2,6-dienyl]sulfonylbenzene
CID 171422851
4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
[(E)-4-(benzenesulfonyl)-2-methylbut-2-enyl] acetate
CID 13382269
(E)-4-(benzenesulfonyl)-2-methylbut-2-enoic acid
CID 10399384
[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene
CID 58409827
(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
CID 132580999
9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 564477
1-methyl-4-[(Z)-3-methyl-4-phenylbut-2-enyl]sulfonylbenzene
CID 134900740
(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123

Frequently Asked Questions

What is the IUPAC name of 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol?
The IUPAC name of 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol (CID 71349271) is 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol.
What is the SMILES notation for 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol?
The canonical SMILES for 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol is CC(=CCS(=O)(=O)c1ccccc1)CCC=C(C)CCCO.
What is the InChIKey of 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol?
The InChIKey is ROLUSSHOGVADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3S/c1-16(10-7-14-19)8-6-9-17(2)13-15-22(20,21)18-11-4-3-5-12-18/h3-5,8,11-13,19H,6-7,9-10,14-15H2,1-2H3.
What are the key properties of 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol?
10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol has a molecular weight of 322.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol is sourced from PubChem (CID 71349271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).