4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol

C11H18O — CID 89153813

IUPAC4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCCC(C)(C)C1=CC=C(O)CC1
InChIInChI=1S/C11H18O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5,7,12H,4,6,8H2,1-3H3
InChIKeyDLMQDYWTUUTNGB-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.58
Rot. Bonds2

About 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol

4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol (PubChem CID 89153813) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol
PubChem CID89153813
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCCC(C)(C)C1=CC=C(O)CC1
InChIInChI=1S/C11H18O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5,7,12H,4,6,8H2,1-3H3
InChIKeyDLMQDYWTUUTNGB-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydrodihydroionol
CID 62126
1,8-Menthadien-2-ol
CID 15826952
cis-2,8-Menthadien-2-ol
CID 69528770
3,3-Dimethyl-1-cyclohexen-1-ol
CID 21678235
4-tert-Butylcyclohexanolen
CID 12611406
Carvenol
CID 12169404
2,6-Di-t-butyl,4-methylcresol
CID 67047598
Toluol-n-Butanol-Wasser
CID 129649645
4-(2-Methylpropyl)cyclohexa-1,3-dien-1-ol
CID 19350672
4-Tert-butylcyclohexa-1,3-dien-1-ol
CID 20038819
4-Butan-2-ylcyclohexa-1,3-dien-1-ol
CID 117705152
4-(2-Methylprop-2-enyl)cyclohexen-1-ol
CID 141807403

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol (CID 89153813) is 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol is CCC(C)(C)C1=CC=C(O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol?
The InChIKey is DLMQDYWTUUTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5,7,12H,4,6,8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol?
4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89153813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).