6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol

C12H20O — CID 67640836

IUPAC6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCCCC1(C)C=C(C)C=CC1O
InChIInChI=1S/C12H20O/c1-4-5-8-12(3)9-10(2)6-7-11(12)13/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyLWQVOUOWTNUXNS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds3

About 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol

6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 67640836) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID67640836
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCCCC1(C)C=C(C)C=CC1O
InChIInChI=1S/C12H20O/c1-4-5-8-12(3)9-10(2)6-7-11(12)13/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyLWQVOUOWTNUXNS-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol (CID 67640836) is 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol is CCCCC1(C)C=C(C)C=CC1O.
What is the InChIKey of 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is LWQVOUOWTNUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-8-12(3)9-10(2)6-7-11(12)13/h6-7,9,11,13H,4-5,8H2,1-3H3.
What are the key properties of 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol?
6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67640836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).