(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane

C8H14O — CID 12504771

IUPAC(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane
SMILESCO[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c1-9-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyWMYWLMCIILHCPB-RNJXMRFFSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds1

About (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane

(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane (PubChem CID 12504771) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane
PubChem CID12504771
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane
SMILESCO[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c1-9-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyWMYWLMCIILHCPB-RNJXMRFFSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Norbornyl acetate
CID 101199
exo-2,3-Epoxynorbornane
CID 18463
Bicyclo[2.2.1]heptane, 2-ethyl-6-methoxy-
CID 91996442
2,2-Dimethoxybicyclo[2.2.1]heptane
CID 139141
Exo-2-norbornyl formate
CID 300806
rel-(1R,2S,4R,5S)-3-Oxatricyclo[3.2.1.02,4]octane
CID 11789154
Potassium 2-bicyclo[2.2.1]heptanyloxymethanedithioate
CID 23715100
Bicyclo(2.2.1)heptane, 2-methoxy-, endo-
CID 139142
Mercury, chloro(3-methoxybicyclo(2.2.1)hept-2-yl)-
CID 3039054
Exo-2-acetoxynorbornane
CID 12594113
Bicyclo[2.2.1]heptan-2-ol, formate, (1R,2R,4S)-rel-
CID 21674515
cis-2,3-Epoxybicyclo[2.2.1]heptane
CID 6432296

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane (CID 12504771) is (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane is CO[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane?
The InChIKey is WMYWLMCIILHCPB-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H14O/c1-9-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane?
(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane has a molecular weight of 126.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 12504771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).