acetaldehyde;2-cyclopentylpropylbenzene;ethane

C20H36O — CID 170581057

IUPACacetaldehyde;2-cyclopentylpropylbenzene;ethane
SMILESCC.CC.CC(Cc1ccccc1)C1CCCC1.CC=O
InChIInChI=1S/C14H20.C2H4O.2C2H6/c1-12(14-9-5-6-10-14)11-13-7-3-2-4-8-13;1-2-3;2*1-2/h2-4,7-8,12,14H,5-6,9-11H2,1H3;2H,1H3;2*1-2H3
InChIKeyYNMWDRAAGYXOST-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.31
Rot. Bonds3

About acetaldehyde;2-cyclopentylpropylbenzene;ethane

acetaldehyde;2-cyclopentylpropylbenzene;ethane (PubChem CID 170581057) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is acetaldehyde;2-cyclopentylpropylbenzene;ethane.

Molecular Properties

Compound Nameacetaldehyde;2-cyclopentylpropylbenzene;ethane
PubChem CID170581057
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Nameacetaldehyde;2-cyclopentylpropylbenzene;ethane
SMILESCC.CC.CC(Cc1ccccc1)C1CCCC1.CC=O
InChIInChI=1S/C14H20.C2H4O.2C2H6/c1-12(14-9-5-6-10-14)11-13-7-3-2-4-8-13;1-2-3;2*1-2/h2-4,7-8,12,14H,5-6,9-11H2,1H3;2H,1H3;2*1-2H3
InChIKeyYNMWDRAAGYXOST-UHFFFAOYSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.31
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

2-cyclohexylpropylbenzene
CID 15846297
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
1-cyclopentyl-2-phenylethanamine
CID 50988646
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
CID 173352600
trans-(1R,4R)-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-4-propan-2-ylcycloheptane-1-carboxamide
CID 143582761
(2-cyclobutyl-3-methylpentyl)benzene
CID 54503579
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-cyclopentylpropylbenzene;ethane?
The IUPAC name of acetaldehyde;2-cyclopentylpropylbenzene;ethane (CID 170581057) is acetaldehyde;2-cyclopentylpropylbenzene;ethane.
What is the SMILES notation for acetaldehyde;2-cyclopentylpropylbenzene;ethane?
The canonical SMILES for acetaldehyde;2-cyclopentylpropylbenzene;ethane is CC.CC.CC(Cc1ccccc1)C1CCCC1.CC=O.
What is the InChIKey of acetaldehyde;2-cyclopentylpropylbenzene;ethane?
The InChIKey is YNMWDRAAGYXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C2H4O.2C2H6/c1-12(14-9-5-6-10-14)11-13-7-3-2-4-8-13;1-2-3;2*1-2/h2-4,7-8,12,14H,5-6,9-11H2,1H3;2H,1H3;2*1-2H3.
What are the key properties of acetaldehyde;2-cyclopentylpropylbenzene;ethane?
acetaldehyde;2-cyclopentylpropylbenzene;ethane has a molecular weight of 292.51 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-cyclopentylpropylbenzene;ethane is sourced from PubChem (CID 170581057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).