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

C10H16O2 — CID 134832654

IUPAC[(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC[C@]1(CO)C2C=C[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3/t7-,8?,9-,10-/m0/s1
InChIKeySDPWSSMIFMDKEA-HFXXUHSDSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds2

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

[(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 134832654) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID134832654
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC[C@]1(CO)C2C=C[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3/t7-,8?,9-,10-/m0/s1
InChIKeySDPWSSMIFMDKEA-HFXXUHSDSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 134832654) is [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is C[C@]1(CO)C2C=C[C@@H](C2)[C@@H]1CO.
What is the InChIKey of [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is SDPWSSMIFMDKEA-HFXXUHSDSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3/t7-,8?,9-,10-/m0/s1.
What are the key properties of [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 134832654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).