3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one

C10H14O2 — CID 18320262

IUPAC3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(=O)C(C)=C1O
InChIInChI=1S/C10H14O2/c1-6-5-10(3,4)9(12)7(2)8(6)11/h11H,1,5H2,2-4H3
InChIKeyBSOYLNGVBCNHPI-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds

About 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one

3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one (PubChem CID 18320262) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one
PubChem CID18320262
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(=O)C(C)=C1O
InChIInChI=1S/C10H14O2/c1-6-5-10(3,4)9(12)7(2)8(6)11/h11H,1,5H2,2-4H3
InChIKeyBSOYLNGVBCNHPI-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one (CID 18320262) is 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one is C=C1CC(C)(C)C(=O)C(C)=C1O.
What is the InChIKey of 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one?
The InChIKey is BSOYLNGVBCNHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-5-10(3,4)9(12)7(2)8(6)11/h11H,1,5H2,2-4H3.
What are the key properties of 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one?
3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 18320262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).