[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene

C18H26O2S — CID 158195735

IUPAC[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene
SMILESCC(C)=CCC[C@H](C)CC1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26O2S/c1-14(2)8-7-9-15(3)12-16-13-18(16)21(19,20)17-10-5-4-6-11-17/h4-6,8,10-11,15-16,18H,7,9,12-13H2,1-3H3/t15-,16?,18+/m0/s1
InChIKeyIFQZPKCZUBFZGO-NANQTSIFSA-N
MW306.47 g/mol
LogP4.62
Rot. Bonds7

About [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene

[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene (PubChem CID 158195735) has the molecular formula C18H26O2S and a molecular weight of 306.47 g/mol. Its IUPAC name is [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene
PubChem CID158195735
Molecular FormulaC18H26O2S
Molecular Weight306.47 g/mol
Exact Mass306.17
IUPAC Name[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene
SMILESCC(C)=CCC[C@H](C)CC1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26O2S/c1-14(2)8-7-9-15(3)12-16-13-18(16)21(19,20)17-10-5-4-6-11-17/h4-6,8,10-11,15-16,18H,7,9,12-13H2,1-3H3/t15-,16?,18+/m0/s1
InChIKeyIFQZPKCZUBFZGO-NANQTSIFSA-N
XLogP4.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;3,7-dimethyloct-6-enal
CID 87489443
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
benzoic acid;N,6-dimethylhept-5-en-2-amine
CID 138630133
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene
CID 14689112
3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
CID 146442229

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene?
The IUPAC name of [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene (CID 158195735) is [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene.
What is the SMILES notation for [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene?
The canonical SMILES for [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene is CC(C)=CCC[C@H](C)CC1C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene?
The InChIKey is IFQZPKCZUBFZGO-NANQTSIFSA-N. The full InChI is InChI=1S/C18H26O2S/c1-14(2)8-7-9-15(3)12-16-13-18(16)21(19,20)17-10-5-4-6-11-17/h4-6,8,10-11,15-16,18H,7,9,12-13H2,1-3H3/t15-,16?,18+/m0/s1.
What are the key properties of [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene?
[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene has a molecular weight of 306.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene is sourced from PubChem (CID 158195735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).