5-cyclohexylheptan-2-ylbenzene

C19H30 — CID 23597687

IUPAC5-cyclohexylheptan-2-ylbenzene
SMILESCCC(CCC(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30/c1-3-17(19-12-8-5-9-13-19)15-14-16(2)18-10-6-4-7-11-18/h4,6-7,10-11,16-17,19H,3,5,8-9,12-15H2,1-2H3
InChIKeyVUGCCAHNQJQWKU-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.18
Rot. Bonds6

About 5-cyclohexylheptan-2-ylbenzene

5-cyclohexylheptan-2-ylbenzene (PubChem CID 23597687) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-cyclohexylheptan-2-ylbenzene.

Molecular Properties

Compound Name5-cyclohexylheptan-2-ylbenzene
PubChem CID23597687
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name5-cyclohexylheptan-2-ylbenzene
SMILESCCC(CCC(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30/c1-3-17(19-12-8-5-9-13-19)15-14-16(2)18-10-6-4-7-11-18/h4,6-7,10-11,16-17,19H,3,5,8-9,12-15H2,1-2H3
InChIKeyVUGCCAHNQJQWKU-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318
5-cyclohexylheptan-2-ol
CID 89364025
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682
pentan-2-ylbenzene
CID 17627
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 58599580
(1-cyclohexyl-3-methyl-2-phenylpentyl)hydrazine
CID 105282072

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylheptan-2-ylbenzene?
The IUPAC name of 5-cyclohexylheptan-2-ylbenzene (CID 23597687) is 5-cyclohexylheptan-2-ylbenzene.
What is the SMILES notation for 5-cyclohexylheptan-2-ylbenzene?
The canonical SMILES for 5-cyclohexylheptan-2-ylbenzene is CCC(CCC(C)c1ccccc1)C1CCCCC1.
What is the InChIKey of 5-cyclohexylheptan-2-ylbenzene?
The InChIKey is VUGCCAHNQJQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-3-17(19-12-8-5-9-13-19)15-14-16(2)18-10-6-4-7-11-18/h4,6-7,10-11,16-17,19H,3,5,8-9,12-15H2,1-2H3.
What are the key properties of 5-cyclohexylheptan-2-ylbenzene?
5-cyclohexylheptan-2-ylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylheptan-2-ylbenzene is sourced from PubChem (CID 23597687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).