[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate

C14H24O3 — CID 162900260

IUPAC[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC2CCC1(C)C2(C)CO
InChIInChI=1S/C14H24O3/c1-9(2)12(16)17-11-7-10-5-6-13(11,3)14(10,4)8-15/h9-11,15H,5-8H2,1-4H3
InChIKeySQXVZDRBDNDKLQ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.37
Rot. Bonds3

About [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate

[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate (PubChem CID 162900260) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate.

Molecular Properties

Compound Name[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
PubChem CID162900260
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC2CCC1(C)C2(C)CO
InChIInChI=1S/C14H24O3/c1-9(2)12(16)17-11-7-10-5-6-13(11,3)14(10,4)8-15/h9-11,15H,5-8H2,1-4H3
InChIKeySQXVZDRBDNDKLQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-bromo-3-hydroxypropanoate
CID 166031079
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-sulfanylpropanoate
CID 107018949
[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylbutanoate
CID 91748871
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoroacetate
CID 58225971
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-phenylpropanoate
CID 102316654
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-2-aminopentanoate
CID 107565787
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-4-amino-2-hydroxybutanoate
CID 114007057
1-O-methyl 3-O-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminopropanedioate
CID 54348246
acetic acid;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 118982093
2-oxo-2-[[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]acetic acid
CID 174735483
3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propanoic acid
CID 917424

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate?
The IUPAC name of [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate (CID 162900260) is [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate.
What is the SMILES notation for [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate?
The canonical SMILES for [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate is CC(C)C(=O)OC1CC2CCC1(C)C2(C)CO.
What is the InChIKey of [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate?
The InChIKey is SQXVZDRBDNDKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)12(16)17-11-7-10-5-6-13(11,3)14(10,4)8-15/h9-11,15H,5-8H2,1-4H3.
What are the key properties of [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate?
[7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate has a molecular weight of 240.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate is sourced from PubChem (CID 162900260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).