ethane;3-(2-methylcyclopentyl)oxypropylbenzene

C17H28O — CID 145106111

IUPACethane;3-(2-methylcyclopentyl)oxypropylbenzene
SMILESCC.CC1CCCC1OCCCc1ccccc1
InChIInChI=1S/C15H22O.C2H6/c1-13-7-5-11-15(13)16-12-6-10-14-8-3-2-4-9-14;1-2/h2-4,8-9,13,15H,5-7,10-12H2,1H3;1-2H3
InChIKeyAREQZRUIZGIGBD-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.85
Rot. Bonds5

About ethane;3-(2-methylcyclopentyl)oxypropylbenzene

ethane;3-(2-methylcyclopentyl)oxypropylbenzene (PubChem CID 145106111) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;3-(2-methylcyclopentyl)oxypropylbenzene.

Molecular Properties

Compound Nameethane;3-(2-methylcyclopentyl)oxypropylbenzene
PubChem CID145106111
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Nameethane;3-(2-methylcyclopentyl)oxypropylbenzene
SMILESCC.CC1CCCC1OCCCc1ccccc1
InChIInChI=1S/C15H22O.C2H6/c1-13-7-5-11-15(13)16-12-6-10-14-8-3-2-4-9-14;1-2/h2-4,8-9,13,15H,5-7,10-12H2,1H3;1-2H3
InChIKeyAREQZRUIZGIGBD-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
CID 103175086
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
2-[2-(2-methylcyclohexyl)oxyethyl]aniline
CID 62497263
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
CID 116693317
2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine
CID 103175112
2-cyclobutyloxyethylbenzene
CID 54003575
3-phenylpropyl 3-methylpiperidine-2-carboxylate
CID 107071149
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylcyclopentyl)oxypropylbenzene?
The IUPAC name of ethane;3-(2-methylcyclopentyl)oxypropylbenzene (CID 145106111) is ethane;3-(2-methylcyclopentyl)oxypropylbenzene.
What is the SMILES notation for ethane;3-(2-methylcyclopentyl)oxypropylbenzene?
The canonical SMILES for ethane;3-(2-methylcyclopentyl)oxypropylbenzene is CC.CC1CCCC1OCCCc1ccccc1.
What is the InChIKey of ethane;3-(2-methylcyclopentyl)oxypropylbenzene?
The InChIKey is AREQZRUIZGIGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-13-7-5-11-15(13)16-12-6-10-14-8-3-2-4-9-14;1-2/h2-4,8-9,13,15H,5-7,10-12H2,1H3;1-2H3.
What are the key properties of ethane;3-(2-methylcyclopentyl)oxypropylbenzene?
ethane;3-(2-methylcyclopentyl)oxypropylbenzene has a molecular weight of 248.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylcyclopentyl)oxypropylbenzene is sourced from PubChem (CID 145106111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).