1-butoxy-2-cyclopentyl-4-ethenylbenzene

C17H24O — CID 89054321

IUPAC1-butoxy-2-cyclopentyl-4-ethenylbenzene
SMILESC=Cc1ccc(OCCCC)c(C2CCCC2)c1
InChIInChI=1S/C17H24O/c1-3-5-12-18-17-11-10-14(4-2)13-16(17)15-8-6-7-9-15/h4,10-11,13,15H,2-3,5-9,12H2,1H3
InChIKeyDCFHTSPKQYXMRQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.17
Rot. Bonds6

About 1-butoxy-2-cyclopentyl-4-ethenylbenzene

1-butoxy-2-cyclopentyl-4-ethenylbenzene (PubChem CID 89054321) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-butoxy-2-cyclopentyl-4-ethenylbenzene.

Molecular Properties

Compound Name1-butoxy-2-cyclopentyl-4-ethenylbenzene
PubChem CID89054321
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-butoxy-2-cyclopentyl-4-ethenylbenzene
SMILESC=Cc1ccc(OCCCC)c(C2CCCC2)c1
InChIInChI=1S/C17H24O/c1-3-5-12-18-17-11-10-14(4-2)13-16(17)15-8-6-7-9-15/h4,10-11,13,15H,2-3,5-9,12H2,1H3
InChIKeyDCFHTSPKQYXMRQ-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.17
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

1-cyclobutyl-4-ethenylbenzene;pentane
CID 144867971
1-butoxy-4-ethenyl-2-methoxybenzene;bis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-[4-(cyclohexylmethoxy)-3-methoxyphenyl]-2-methylprop-2-enenitrile);tetrakis((Z)-3-(4-heptoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(3-methoxy-4-nonoxyphenyl)-2-methylprop-2-enenitrile
CID 159096975
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 166924586
4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
CID 118268755
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890212
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
5-ethenyl-1,2,3-trihexoxybenzene
CID 132596911
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-cyclopentyl-4-ethenylbenzene?
The IUPAC name of 1-butoxy-2-cyclopentyl-4-ethenylbenzene (CID 89054321) is 1-butoxy-2-cyclopentyl-4-ethenylbenzene.
What is the SMILES notation for 1-butoxy-2-cyclopentyl-4-ethenylbenzene?
The canonical SMILES for 1-butoxy-2-cyclopentyl-4-ethenylbenzene is C=Cc1ccc(OCCCC)c(C2CCCC2)c1.
What is the InChIKey of 1-butoxy-2-cyclopentyl-4-ethenylbenzene?
The InChIKey is DCFHTSPKQYXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-12-18-17-11-10-14(4-2)13-16(17)15-8-6-7-9-15/h4,10-11,13,15H,2-3,5-9,12H2,1H3.
What are the key properties of 1-butoxy-2-cyclopentyl-4-ethenylbenzene?
1-butoxy-2-cyclopentyl-4-ethenylbenzene has a molecular weight of 244.38 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-cyclopentyl-4-ethenylbenzene is sourced from PubChem (CID 89054321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).