[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene

C18H24O — CID 145023247

IUPAC[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene
SMILESC=C(CC)[C@H](C(=C)OC1CCCC1)c1ccccc1
InChIInChI=1S/C18H24O/c1-4-14(2)18(16-10-6-5-7-11-16)15(3)19-17-12-8-9-13-17/h5-7,10-11,17-18H,2-4,8-9,12-13H2,1H3/t18-/m1/s1
InChIKeyDGJZJFQSFPXISZ-GOSISDBHSA-N
MW256.39 g/mol
LogP5.21
Rot. Bonds6

About [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene

[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene (PubChem CID 145023247) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene.

Molecular Properties

Compound Name[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene
PubChem CID145023247
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene
SMILESC=C(CC)[C@H](C(=C)OC1CCCC1)c1ccccc1
InChIInChI=1S/C18H24O/c1-4-14(2)18(16-10-6-5-7-11-16)15(3)19-17-12-8-9-13-17/h5-7,10-11,17-18H,2-4,8-9,12-13H2,1H3/t18-/m1/s1
InChIKeyDGJZJFQSFPXISZ-GOSISDBHSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
(NE)-N-[1-(2-cyclopentyloxyphenyl)propylidene]hydroxylamine
CID 43185539
N-cyclopentyloxy-1-phenylpropan-1-amine
CID 83228943
cyclohexyl benzylsulfanylformate
CID 14740472
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
cyclopentyl 2-[[(1S,2S)-2-[(2-cyclopentyloxycarbonyl-3-hydroxybut-2-enylidene)amino]-1,2-diphenylethyl]iminomethyl]-3-hydroxybut-2-enoate
CID 158609760
3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen
CID 162020896
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
[cyclopentyloxy(methoxy)methyl]benzene
CID 54296518

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene?
The IUPAC name of [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene (CID 145023247) is [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene.
What is the SMILES notation for [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene?
The canonical SMILES for [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene is C=C(CC)[C@H](C(=C)OC1CCCC1)c1ccccc1.
What is the InChIKey of [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene?
The InChIKey is DGJZJFQSFPXISZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24O/c1-4-14(2)18(16-10-6-5-7-11-16)15(3)19-17-12-8-9-13-17/h5-7,10-11,17-18H,2-4,8-9,12-13H2,1H3/t18-/m1/s1.
What are the key properties of [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene?
[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene has a molecular weight of 256.39 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene is sourced from PubChem (CID 145023247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).