4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane

C10H18O — CID 14021140

IUPAC4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane
SMILESCC1CCC2CC1OC2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyMGRKVRJGCZXQGW-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane

4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane (PubChem CID 14021140) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane
PubChem CID14021140
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane
SMILESCC1CCC2CC1OC2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyMGRKVRJGCZXQGW-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
1-Menthyl methyl ether
CID 102648
2-Methyl-5-(propan-2-yl)-7-oxabicyclo(4.1.0)heptane
CID 22130
p-Menth-1-ene oxide
CID 524011
cis-Limonen-1,2-oxide
CID 11744851
(4R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptane
CID 70700532
trans-Limonen oxide
CID 6429145
1-Isopropyl-4-methyl-7-oxa-bicyclo[4.1.0]heptane
CID 521074
Cyclohexane, 2-ethoxy-4-methyl-1-(1-methylethyl)-
CID 9794074
Dihydropinol
CID 91748530
trans-Limonen-1,2-oxide
CID 91751113
(4R)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 134946576

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane?
The IUPAC name of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane (CID 14021140) is 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane?
The canonical SMILES for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane is CC1CCC2CC1OC2(C)C.
What is the InChIKey of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane?
The InChIKey is MGRKVRJGCZXQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane?
4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 14021140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).