1-cyclohexyl-2-heptylbenzene

C19H30 — CID 154399814

IUPAC1-cyclohexyl-2-heptylbenzene
SMILESCCCCCCCc1ccccc1C1CCCCC1
InChIInChI=1S/C19H30/c1-2-3-4-5-7-12-18-15-10-11-16-19(18)17-13-8-6-9-14-17/h10-11,15-17H,2-9,12-14H2,1H3
InChIKeyJLLJZUGIXLAZQJ-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.25
Rot. Bonds7

About 1-cyclohexyl-2-heptylbenzene

1-cyclohexyl-2-heptylbenzene (PubChem CID 154399814) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-heptylbenzene.

Molecular Properties

Compound Name1-cyclohexyl-2-heptylbenzene
PubChem CID154399814
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-cyclohexyl-2-heptylbenzene
SMILESCCCCCCCc1ccccc1C1CCCCC1
InChIInChI=1S/C19H30/c1-2-3-4-5-7-12-18-15-10-11-16-19(18)17-13-8-6-9-14-17/h10-11,15-17H,2-9,12-14H2,1H3
InChIKeyJLLJZUGIXLAZQJ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-hexylbenzene
CID 172995295
2-(2-nonylphenyl)cyclohexan-1-one
CID 67726706
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
1-butyl-4-cyclohexylnaphthalene
CID 173269132
1-cyclohexyl-2-(2-ethylhexyl)benzene
CID 154130996
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479
2-butyl-6-cyclobutylaniline
CID 172550525
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-heptylbenzene?
The IUPAC name of 1-cyclohexyl-2-heptylbenzene (CID 154399814) is 1-cyclohexyl-2-heptylbenzene.
What is the SMILES notation for 1-cyclohexyl-2-heptylbenzene?
The canonical SMILES for 1-cyclohexyl-2-heptylbenzene is CCCCCCCc1ccccc1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-heptylbenzene?
The InChIKey is JLLJZUGIXLAZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-2-3-4-5-7-12-18-15-10-11-16-19(18)17-13-8-6-9-14-17/h10-11,15-17H,2-9,12-14H2,1H3.
What are the key properties of 1-cyclohexyl-2-heptylbenzene?
1-cyclohexyl-2-heptylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-heptylbenzene is sourced from PubChem (CID 154399814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).