methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate

C10H16O3 — CID 83854307

IUPACmethyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CO)(CC1)C2
InChIInChI=1S/C10H16O3/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h11H,2-7H2,1H3
InChIKeySUBCPWAUFQPRLU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds2

About methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate

methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 83854307) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
PubChem CID83854307
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CO)(CC1)C2
InChIInChI=1S/C10H16O3/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h11H,2-7H2,1H3
InChIKeySUBCPWAUFQPRLU-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate (CID 83854307) is methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate is COC(=O)C12CCC(CO)(CC1)C2.
What is the InChIKey of methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is SUBCPWAUFQPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h11H,2-7H2,1H3.
What are the key properties of methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate?
methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 83854307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).