1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol

C10H16O2 — CID 130128743

IUPAC1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol
SMILESCOC12C=CC(C)(CC1)CC2O
InChIInChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)8(11)7-9/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyLFPJXIKWTDYLTF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds1

About 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol

1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 130128743) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol
PubChem CID130128743
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol
SMILESCOC12C=CC(C)(CC1)CC2O
InChIInChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)8(11)7-9/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyLFPJXIKWTDYLTF-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 1-methoxy-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 142765234
(1S,4S)-1-methoxy-4,5-dimethyl-3-methylidenebicyclo[2.2.2]oct-5-en-2-ol
CID 10867209
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
5-methoxy-2-methyl-2-nitroso-5-propan-2-ylcyclohexan-1-ol
CID 123930678
3,3-dimethoxycyclobutan-1-ol
CID 130945109
(1S,2S,5S)-1-methoxy-2,4-dimethylbicyclo[3.2.1]oct-3-en-2-ol
CID 134875418
(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
CID 130977558
2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
CID 164668290
(1R,3Z,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
CID 15837288
cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
CID 131133876
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene
CID 578353

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol (CID 130128743) is 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol is COC12C=CC(C)(CC1)CC2O.
What is the InChIKey of 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is LFPJXIKWTDYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)8(11)7-9/h3,5,8,11H,4,6-7H2,1-2H3.
What are the key properties of 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol?
1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 130128743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).