4-methyl-4-octylcyclohexa-1,5-dien-1-ol

C15H26O — CID 70603007

IUPAC4-methyl-4-octylcyclohexa-1,5-dien-1-ol
SMILESCCCCCCCCC1(C)C=CC(O)=CC1
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-11-15(2)12-9-14(16)10-13-15/h9-10,12,16H,3-8,11,13H2,1-2H3
InChIKeyADDBQZNHVAFZIH-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.15
Rot. Bonds7

About 4-methyl-4-octylcyclohexa-1,5-dien-1-ol

4-methyl-4-octylcyclohexa-1,5-dien-1-ol (PubChem CID 70603007) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-methyl-4-octylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methyl-4-octylcyclohexa-1,5-dien-1-ol
PubChem CID70603007
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-methyl-4-octylcyclohexa-1,5-dien-1-ol
SMILESCCCCCCCCC1(C)C=CC(O)=CC1
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-11-15(2)12-9-14(16)10-13-15/h9-10,12,16H,3-8,11,13H2,1-2H3
InChIKeyADDBQZNHVAFZIH-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-octylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methyl-4-octylcyclohexa-1,5-dien-1-ol (CID 70603007) is 4-methyl-4-octylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methyl-4-octylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methyl-4-octylcyclohexa-1,5-dien-1-ol is CCCCCCCCC1(C)C=CC(O)=CC1.
What is the InChIKey of 4-methyl-4-octylcyclohexa-1,5-dien-1-ol?
The InChIKey is ADDBQZNHVAFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-4-5-6-7-8-11-15(2)12-9-14(16)10-13-15/h9-10,12,16H,3-8,11,13H2,1-2H3.
What are the key properties of 4-methyl-4-octylcyclohexa-1,5-dien-1-ol?
4-methyl-4-octylcyclohexa-1,5-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-octylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70603007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).