2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol

C15H26O — CID 67820941

IUPAC2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1=C(O)C=CC(C)(CCCC)C1
InChIInChI=1S/C15H26O/c1-4-6-8-13-12-15(3,10-7-5-2)11-9-14(13)16/h9,11,16H,4-8,10,12H2,1-3H3
InChIKeyBUKBEAUJIKHJMT-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.15
Rot. Bonds6

About 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol

2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 67820941) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID67820941
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1=C(O)C=CC(C)(CCCC)C1
InChIInChI=1S/C15H26O/c1-4-6-8-13-12-15(3,10-7-5-2)11-9-14(13)16/h9,11,16H,4-8,10,12H2,1-3H3
InChIKeyBUKBEAUJIKHJMT-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol (CID 67820941) is 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol is CCCCC1=C(O)C=CC(C)(CCCC)C1.
What is the InChIKey of 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is BUKBEAUJIKHJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-6-8-13-12-15(3,10-7-5-2)11-9-14(13)16/h9,11,16H,4-8,10,12H2,1-3H3.
What are the key properties of 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol?
2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67820941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).