2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one

C10H14O2 — CID 15715943

IUPAC2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one
SMILESC=C1C(C)=C(O)C(=O)CC1(C)C
InChIInChI=1S/C10H14O2/c1-6-7(2)10(3,4)5-8(11)9(6)12/h12H,2,5H2,1,3-4H3
InChIKeyLTFSHRILVMNKDN-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds

About 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one

2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one (PubChem CID 15715943) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one
PubChem CID15715943
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one
SMILESC=C1C(C)=C(O)C(=O)CC1(C)C
InChIInChI=1S/C10H14O2/c1-6-7(2)10(3,4)5-8(11)9(6)12/h12H,2,5H2,1,3-4H3
InChIKeyLTFSHRILVMNKDN-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 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one?
The IUPAC name of 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one (CID 15715943) is 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one is C=C1C(C)=C(O)C(=O)CC1(C)C.
What is the InChIKey of 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one?
The InChIKey is LTFSHRILVMNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-7(2)10(3,4)5-8(11)9(6)12/h12H,2,5H2,1,3-4H3.
What are the key properties of 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one?
2-hydroxy-3,5,5-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 2-hydroxy-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 15715943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).