2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

C11H20O — CID 557113

IUPAC2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCOC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C11H20O/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9H,5-7H2,1-4H3
InChIKeyLNAQSWUSQQVQME-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds1

About 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 557113) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
PubChem CID557113
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCOC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C11H20O/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9H,5-7H2,1-4H3
InChIKeyLNAQSWUSQQVQME-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Borneol
CID 64685
Isoborneol
CID 6321405
D-Borneol
CID 6552009
Fenchol
CID 15406
Borneol, (-)-
CID 1201518
1,3,3-Trimethyl-2-norbornanyl acetate
CID 107217
Isobornyl formate
CID 23623868
(+)-Fenchol
CID 6997371
2-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-ol
CID 106997
(-)-alpha-Fenchol
CID 439711
Bornyl formate
CID 518472
2-Bornanol, 2-methyl-
CID 16913

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (CID 557113) is 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is COC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is LNAQSWUSQQVQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).