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

C11H16O — CID 89021753

IUPAC4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol
SMILESC=C(C1=CC=C(O)CC1)C(C)C
InChIInChI=1S/C11H16O/c1-8(2)9(3)10-4-6-11(12)7-5-10/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyASROKYZTROGLQD-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.36
Rot. Bonds2

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

4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol (PubChem CID 89021753) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol
PubChem CID89021753
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol
SMILESC=C(C1=CC=C(O)CC1)C(C)C
InChIInChI=1S/C11H16O/c1-8(2)9(3)10-4-6-11(12)7-5-10/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyASROKYZTROGLQD-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol (CID 89021753) is 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol is C=C(C1=CC=C(O)CC1)C(C)C.
What is the InChIKey of 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol?
The InChIKey is ASROKYZTROGLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)9(3)10-4-6-11(12)7-5-10/h4,6,8,12H,3,5,7H2,1-2H3.
What are the key properties of 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol?
4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol has a molecular weight of 164.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89021753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).