methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate

C10H16O3 — CID 586722

IUPACmethyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CC1)C2CO
InChIInChI=1S/C10H16O3/c1-13-9(12)10-4-2-7(3-5-10)8(10)6-11/h7-8,11H,2-6H2,1H3
InChIKeyLYDSMALBOFULAS-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.96
Rot. Bonds2

About methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate

methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 586722) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
PubChem CID586722
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CC1)C2CO
InChIInChI=1S/C10H16O3/c1-13-9(12)10-4-2-7(3-5-10)8(10)6-11/h7-8,11H,2-6H2,1H3
InChIKeyLYDSMALBOFULAS-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
2-Bornanecarboxylic acid
CID 565594
(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
CID 20327362
DL-Camphoricacid
CID 297894
Methyl 4-(hydroxymethyl)norbornane-1-carboxylate
CID 83854307
2,3,3-Trimethylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 129994224
Methyl 4-(2-hydroxyethyl)bicyclo[2.2.1]heptane-1-carboxylate
CID 171482900
(1R,4R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 154699783
(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetic acid
CID 14779193
2-{7,7-Dimethylbicyclo[2.2.1]heptan-1-yl}acetic acid
CID 71380870
(1R,4S)-1,3,3-trimethylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 130934448
1-(Hydroxymethyl)bicyclo[2.1.1]hexane-2-carboxylic acid
CID 165883667

Frequently Asked Questions

What is the IUPAC name of methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate (CID 586722) is methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate is COC(=O)C12CCC(CC1)C2CO.
What is the InChIKey of methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is LYDSMALBOFULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-9(12)10-4-2-7(3-5-10)8(10)6-11/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 586722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).