[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C10H16O3 — CID 134832922

IUPAC[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@H]1[C@H]2C=CC(C2)C1(CO)CO
InChIInChI=1S/C10H16O3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9,11-13H,3-6H2/t7-,8?,9-/m0/s1
InChIKeyMHJBCSZQFAWXLR-SMOXQLQSSA-N
MW184.23 g/mol
LogP-0.23
Rot. Bonds3

About [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 134832922) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID134832922
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@H]1[C@H]2C=CC(C2)C1(CO)CO
InChIInChI=1S/C10H16O3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9,11-13H,3-6H2/t7-,8?,9-/m0/s1
InChIKeyMHJBCSZQFAWXLR-SMOXQLQSSA-N
XLogP-0.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 134832922) is [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is OC[C@H]1[C@H]2C=CC(C2)C1(CO)CO.
What is the InChIKey of [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is MHJBCSZQFAWXLR-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H16O3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9,11-13H,3-6H2/t7-,8?,9-/m0/s1.
What are the key properties of [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 184.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3,3-bis(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 134832922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).