(4-methoxy-2-methylideneheptyl)sulfonylbenzene

C15H22O3S — CID 10802876

IUPAC(4-methoxy-2-methylideneheptyl)sulfonylbenzene
SMILESC=C(CC(CCC)OC)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O3S/c1-4-8-14(18-3)11-13(2)12-19(16,17)15-9-6-5-7-10-15/h5-7,9-10,14H,2,4,8,11-12H2,1,3H3
InChIKeySYDUUKLBMDHLRO-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.22
Rot. Bonds8

About (4-methoxy-2-methylideneheptyl)sulfonylbenzene

(4-methoxy-2-methylideneheptyl)sulfonylbenzene (PubChem CID 10802876) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (4-methoxy-2-methylideneheptyl)sulfonylbenzene.

Molecular Properties

Compound Name(4-methoxy-2-methylideneheptyl)sulfonylbenzene
PubChem CID10802876
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(4-methoxy-2-methylideneheptyl)sulfonylbenzene
SMILESC=C(CC(CCC)OC)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O3S/c1-4-8-14(18-3)11-13(2)12-19(16,17)15-9-6-5-7-10-15/h5-7,9-10,14H,2,4,8,11-12H2,1,3H3
InChIKeySYDUUKLBMDHLRO-UHFFFAOYSA-N
XLogP3.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene
CID 10592693
2-(benzenesulfonylmethyl)prop-2-enoic acid
CID 14296318
2-(benzenesulfonyl)acetic acid;N,N-diethylethanamine
CID 71345032
1-(benzenesulfonyl)but-3-en-2-one
CID 15267268
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
(E)-1-(benzenesulfonyl)hept-3-en-2-one
CID 13413825
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
6-(benzenesulfonyl)-4-methoxyhexan-2-one;methane;4-(3-methoxy-5-oxohexyl)benzoic acid
CID 158816498
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
CID 14580172
dimethyl 2-(benzenesulfonylmethyl)but-2-enedioate
CID 4095019

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylideneheptyl)sulfonylbenzene?
The IUPAC name of (4-methoxy-2-methylideneheptyl)sulfonylbenzene (CID 10802876) is (4-methoxy-2-methylideneheptyl)sulfonylbenzene.
What is the SMILES notation for (4-methoxy-2-methylideneheptyl)sulfonylbenzene?
The canonical SMILES for (4-methoxy-2-methylideneheptyl)sulfonylbenzene is C=C(CC(CCC)OC)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (4-methoxy-2-methylideneheptyl)sulfonylbenzene?
The InChIKey is SYDUUKLBMDHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-4-8-14(18-3)11-13(2)12-19(16,17)15-9-6-5-7-10-15/h5-7,9-10,14H,2,4,8,11-12H2,1,3H3.
What are the key properties of (4-methoxy-2-methylideneheptyl)sulfonylbenzene?
(4-methoxy-2-methylideneheptyl)sulfonylbenzene has a molecular weight of 282.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylideneheptyl)sulfonylbenzene is sourced from PubChem (CID 10802876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).