3-cyclohexyl-2-methylocta-2,7-dien-4-ol

C15H26O — CID 59938641

IUPAC3-cyclohexyl-2-methylocta-2,7-dien-4-ol
SMILESC=CCCC(O)C(=C(C)C)C1CCCCC1
InChIInChI=1S/C15H26O/c1-4-5-11-14(16)15(12(2)3)13-9-7-6-8-10-13/h4,13-14,16H,1,5-11H2,2-3H3
InChIKeyYYKZUVYRENPNHN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds5

About 3-cyclohexyl-2-methylocta-2,7-dien-4-ol

3-cyclohexyl-2-methylocta-2,7-dien-4-ol (PubChem CID 59938641) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylocta-2,7-dien-4-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-methylocta-2,7-dien-4-ol
PubChem CID59938641
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-cyclohexyl-2-methylocta-2,7-dien-4-ol
SMILESC=CCCC(O)C(=C(C)C)C1CCCCC1
InChIInChI=1S/C15H26O/c1-4-5-11-14(16)15(12(2)3)13-9-7-6-8-10-13/h4,13-14,16H,1,5-11H2,2-3H3
InChIKeyYYKZUVYRENPNHN-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylocta-2,7-dien-4-ol?
The IUPAC name of 3-cyclohexyl-2-methylocta-2,7-dien-4-ol (CID 59938641) is 3-cyclohexyl-2-methylocta-2,7-dien-4-ol.
What is the SMILES notation for 3-cyclohexyl-2-methylocta-2,7-dien-4-ol?
The canonical SMILES for 3-cyclohexyl-2-methylocta-2,7-dien-4-ol is C=CCCC(O)C(=C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylocta-2,7-dien-4-ol?
The InChIKey is YYKZUVYRENPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-5-11-14(16)15(12(2)3)13-9-7-6-8-10-13/h4,13-14,16H,1,5-11H2,2-3H3.
What are the key properties of 3-cyclohexyl-2-methylocta-2,7-dien-4-ol?
3-cyclohexyl-2-methylocta-2,7-dien-4-ol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylocta-2,7-dien-4-ol is sourced from PubChem (CID 59938641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).