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

C20H30O2 — CID 22131988

IUPAC1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(OC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H30O2/c1-15(2)17-11-13-19(14-12-17)22-20(5,16(3)4)21-18-9-7-6-8-10-18/h11-14,16,18H,1,6-10H2,2-5H3
InChIKeyLSFXIOKSBUZPJW-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.82
Rot. Bonds6

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

1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene (PubChem CID 22131988) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
PubChem CID22131988
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(OC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H30O2/c1-15(2)17-11-13-19(14-12-17)22-20(5,16(3)4)21-18-9-7-6-8-10-18/h11-14,16,18H,1,6-10H2,2-5H3
InChIKeyLSFXIOKSBUZPJW-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.82
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene (CID 22131988) is 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC(C)(OC2CCCCC2)C(C)C)cc1.
What is the InChIKey of 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
The InChIKey is LSFXIOKSBUZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-15(2)17-11-13-19(14-12-17)22-20(5,16(3)4)21-18-9-7-6-8-10-18/h11-14,16,18H,1,6-10H2,2-5H3.
What are the key properties of 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene?
1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene has a molecular weight of 302.46 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxy-3-methylbutan-2-yl)oxy-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22131988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).