[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene

C20H30 — CID 18720631

IUPAC[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene
SMILESCCC(C)(CC(C)c1ccccc1)C1CC=C(C)CC1
InChIInChI=1S/C20H30/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h6-11,17,19H,5,12-15H2,1-4H3
InChIKeyKBYPZLDKCDGBBB-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.34
Rot. Bonds5

About [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene

[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene (PubChem CID 18720631) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene.

Molecular Properties

Compound Name[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene
PubChem CID18720631
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene
SMILESCCC(C)(CC(C)c1ccccc1)C1CC=C(C)CC1
InChIInChI=1S/C20H30/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h6-11,17,19H,5,12-15H2,1-4H3
InChIKeyKBYPZLDKCDGBBB-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
[(2R)-4,4-dimethylpentan-2-yl]benzene;bis(1-[(2R)-4,4-dimethylpentan-2-yl]-4-methylbenzene);2,2-dimethylpropylcyclopropane
CID 158923341
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-ylamino]benzoic acid
CID 22620850
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
CID 86023740
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
CID 16537
(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
CID 134214905
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene?
The IUPAC name of [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene (CID 18720631) is [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene.
What is the SMILES notation for [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene?
The canonical SMILES for [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene is CCC(C)(CC(C)c1ccccc1)C1CC=C(C)CC1.
What is the InChIKey of [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene?
The InChIKey is KBYPZLDKCDGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h6-11,17,19H,5,12-15H2,1-4H3.
What are the key properties of [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene?
[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene has a molecular weight of 270.46 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene is sourced from PubChem (CID 18720631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).