3-phenyl-3-propylcyclopentane-1-carbaldehyde

C15H20O — CID 154684194

IUPAC3-phenyl-3-propylcyclopentane-1-carbaldehyde
SMILESCCCC1(c2ccccc2)CCC(C=O)C1
InChIInChI=1S/C15H20O/c1-2-9-15(10-8-13(11-15)12-16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyOQNWOFIDAOSQBO-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.72
Rot. Bonds4

About 3-phenyl-3-propylcyclopentane-1-carbaldehyde

3-phenyl-3-propylcyclopentane-1-carbaldehyde (PubChem CID 154684194) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-phenyl-3-propylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-3-propylcyclopentane-1-carbaldehyde
PubChem CID154684194
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-phenyl-3-propylcyclopentane-1-carbaldehyde
SMILESCCCC1(c2ccccc2)CCC(C=O)C1
InChIInChI=1S/C15H20O/c1-2-9-15(10-8-13(11-15)12-16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyOQNWOFIDAOSQBO-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-butylcyclobutyl)benzene
CID 57200184
5-ethyl-5-phenyl-1,3-dioxane-2-carbaldehyde
CID 174828336
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde
CID 87732171
ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone
CID 143850311
(2,2-diphenylcyclopropyl)methyl formate
CID 10610821
4-ethyl-4-phenylpiperidine;formamide
CID 143792302
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-propylcyclopentane-1-carbaldehyde?
The IUPAC name of 3-phenyl-3-propylcyclopentane-1-carbaldehyde (CID 154684194) is 3-phenyl-3-propylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-phenyl-3-propylcyclopentane-1-carbaldehyde?
The canonical SMILES for 3-phenyl-3-propylcyclopentane-1-carbaldehyde is CCCC1(c2ccccc2)CCC(C=O)C1.
What is the InChIKey of 3-phenyl-3-propylcyclopentane-1-carbaldehyde?
The InChIKey is OQNWOFIDAOSQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-9-15(10-8-13(11-15)12-16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of 3-phenyl-3-propylcyclopentane-1-carbaldehyde?
3-phenyl-3-propylcyclopentane-1-carbaldehyde has a molecular weight of 216.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-propylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 154684194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).