1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene

C19H28O2 — CID 22132009

IUPAC1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(OC2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H28O2/c1-14(2)16-10-12-18(13-11-16)21-19(5,15(3)4)20-17-8-6-7-9-17/h10-13,15,17H,1,6-9H2,2-5H3
InChIKeyJEVVAIOPDJMSOC-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.43
Rot. Bonds6

About 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene

1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene (PubChem CID 22132009) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
PubChem CID22132009
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(OC2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H28O2/c1-14(2)16-10-12-18(13-11-16)21-19(5,15(3)4)20-17-8-6-7-9-17/h10-13,15,17H,1,6-9H2,2-5H3
InChIKeyJEVVAIOPDJMSOC-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 8815
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Etrogol
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CID 94543
Nonoxynol-1
CID 92035818
((p-(2-Methoxyethyl)phenoxy)methyl)oxirane
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4-Nonylphenyl acetate
CID 221471
4-Ethoxystyrene
CID 79570

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene (CID 22132009) is 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC(C)(OC2CCCC2)C(C)C)cc1.
What is the InChIKey of 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The InChIKey is JEVVAIOPDJMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14(2)16-10-12-18(13-11-16)21-19(5,15(3)4)20-17-8-6-7-9-17/h10-13,15,17H,1,6-9H2,2-5H3.
What are the key properties of 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene has a molecular weight of 288.43 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22132009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).