1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol

C18H30O2 — CID 87964395

IUPAC1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol
SMILESCCCC=CC=CC(O)OC1=C(C(C)C)CCC(C)C1
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3
InChIKeyWJDFWGZEGRTVJJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.96
Rot. Bonds7

About 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol

1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol (PubChem CID 87964395) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol
PubChem CID87964395
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol
SMILESCCCC=CC=CC(O)OC1=C(C(C)C)CCC(C)C1
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3
InChIKeyWJDFWGZEGRTVJJ-UHFFFAOYSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol (CID 87964395) is 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol is CCCC=CC=CC(O)OC1=C(C(C)C)CCC(C)C1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol?
The InChIKey is WJDFWGZEGRTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol?
1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexen-1-yl)oxyocta-2,4-dien-1-ol is sourced from PubChem (CID 87964395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).