4-methyl-3-oxatricyclo[5.1.0.02,4]octane

C8H12O — CID 74040090

IUPAC4-methyl-3-oxatricyclo[5.1.0.02,4]octane
SMILESCC12CCC3CC3C1O2
InChIInChI=1S/C8H12O/c1-8-3-2-5-4-6(5)7(8)9-8/h5-7H,2-4H2,1H3
InChIKeySGTZFJDGZAGQGJ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.57
Rot. Bonds

About 4-methyl-3-oxatricyclo[5.1.0.02,4]octane

4-methyl-3-oxatricyclo[5.1.0.02,4]octane (PubChem CID 74040090) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-methyl-3-oxatricyclo[5.1.0.02,4]octane.

Molecular Properties

Compound Name4-methyl-3-oxatricyclo[5.1.0.02,4]octane
PubChem CID74040090
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-methyl-3-oxatricyclo[5.1.0.02,4]octane
SMILESCC12CCC3CC3C1O2
InChIInChI=1S/C8H12O/c1-8-3-2-5-4-6(5)7(8)9-8/h5-7H,2-4H2,1H3
InChIKeySGTZFJDGZAGQGJ-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 10877125
(3aS,4R,7R,7aS)-1a,4-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxirene
CID 134962165
(1R,4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 165344211
2-[(3aS,4R,7R,7aS)-1a,4-dimethyl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxiren-7-yl]prop-2-enoic acid
CID 134962444
1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol
CID 142000430
1-methyl-4-[5-[[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]oxy]-1,3-dioxan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 58908107
4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 85446360
4-(1-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 155728994
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
CID 123139653
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
[(1S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
CID 10678728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxatricyclo[5.1.0.02,4]octane?
The IUPAC name of 4-methyl-3-oxatricyclo[5.1.0.02,4]octane (CID 74040090) is 4-methyl-3-oxatricyclo[5.1.0.02,4]octane.
What is the SMILES notation for 4-methyl-3-oxatricyclo[5.1.0.02,4]octane?
The canonical SMILES for 4-methyl-3-oxatricyclo[5.1.0.02,4]octane is CC12CCC3CC3C1O2.
What is the InChIKey of 4-methyl-3-oxatricyclo[5.1.0.02,4]octane?
The InChIKey is SGTZFJDGZAGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8-3-2-5-4-6(5)7(8)9-8/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-3-oxatricyclo[5.1.0.02,4]octane?
4-methyl-3-oxatricyclo[5.1.0.02,4]octane has a molecular weight of 124.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxatricyclo[5.1.0.02,4]octane is sourced from PubChem (CID 74040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).