1-cyclopropyl-2-hexylbenzene

C15H22 — CID 172995295

IUPAC1-cyclopropyl-2-hexylbenzene
SMILESCCCCCCc1ccccc1C1CC1
InChIInChI=1S/C15H22/c1-2-3-4-5-8-13-9-6-7-10-15(13)14-11-12-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3
InChIKeyCSLXPEHHVIBGTH-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.69
Rot. Bonds6

About 1-cyclopropyl-2-hexylbenzene

1-cyclopropyl-2-hexylbenzene (PubChem CID 172995295) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-hexylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-2-hexylbenzene
PubChem CID172995295
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-cyclopropyl-2-hexylbenzene
SMILESCCCCCCc1ccccc1C1CC1
InChIInChI=1S/C15H22/c1-2-3-4-5-8-13-9-6-7-10-15(13)14-11-12-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3
InChIKeyCSLXPEHHVIBGTH-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.69
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-cyclohexyl-2-heptylbenzene
CID 154399814
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
CID 117335183
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
2-(2-nonylphenyl)cyclohexan-1-one
CID 67726706
1-ethyl-2-henicosylbenzene
CID 141174443
2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
CID 67924020
lithium;2-dodecylphenol;hydride
CID 174657819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-hexylbenzene?
The IUPAC name of 1-cyclopropyl-2-hexylbenzene (CID 172995295) is 1-cyclopropyl-2-hexylbenzene.
What is the SMILES notation for 1-cyclopropyl-2-hexylbenzene?
The canonical SMILES for 1-cyclopropyl-2-hexylbenzene is CCCCCCc1ccccc1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-hexylbenzene?
The InChIKey is CSLXPEHHVIBGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-2-3-4-5-8-13-9-6-7-10-15(13)14-11-12-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3.
What are the key properties of 1-cyclopropyl-2-hexylbenzene?
1-cyclopropyl-2-hexylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-hexylbenzene is sourced from PubChem (CID 172995295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).