5-cyclopropylpentylbenzene

C14H20 — CID 91089836

IUPAC5-cyclopropylpentylbenzene
SMILESc1ccc(CCCCCC2CC2)cc1
InChIInChI=1S/C14H20/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyCFYMPZZPJYDMSK-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.20
Rot. Bonds6

About 5-cyclopropylpentylbenzene

5-cyclopropylpentylbenzene (PubChem CID 91089836) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-cyclopropylpentylbenzene.

Molecular Properties

Compound Name5-cyclopropylpentylbenzene
PubChem CID91089836
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5-cyclopropylpentylbenzene
SMILESc1ccc(CCCCCC2CC2)cc1
InChIInChI=1S/C14H20/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyCFYMPZZPJYDMSK-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.20
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

4-cyclopropylbutylbenzene
CID 10261592
4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
3-[[4-(4-phenylbutyl)cyclohexyl]amino]phenol
CID 163856195
4-phenylbutylbenzene
CID 141301927
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
4-[5-(4-hydroxycyclohexyl)pentyl]phenol
CID 15052392
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpentylbenzene?
The IUPAC name of 5-cyclopropylpentylbenzene (CID 91089836) is 5-cyclopropylpentylbenzene.
What is the SMILES notation for 5-cyclopropylpentylbenzene?
The canonical SMILES for 5-cyclopropylpentylbenzene is c1ccc(CCCCCC2CC2)cc1.
What is the InChIKey of 5-cyclopropylpentylbenzene?
The InChIKey is CFYMPZZPJYDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 5-cyclopropylpentylbenzene?
5-cyclopropylpentylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpentylbenzene is sourced from PubChem (CID 91089836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).