[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol

C11H18O2 — CID 25053670

IUPAC[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
SMILESC=C1C[C@]2(CO)CC[C@H]1C[C@H]2CO
InChIInChI=1S/C11H18O2/c1-8-5-11(7-13)3-2-9(8)4-10(11)6-12/h9-10,12-13H,1-7H2/t9-,10-,11-/m0/s1
InChIKeySMENQLLQQOTWCQ-DCAQKATOSA-N
MW182.26 g/mol
LogP1.33
Rot. Bonds2

About [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol

[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol (PubChem CID 25053670) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
PubChem CID25053670
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
SMILESC=C1C[C@]2(CO)CC[C@H]1C[C@H]2CO
InChIInChI=1S/C11H18O2/c1-8-5-11(7-13)3-2-9(8)4-10(11)6-12/h9-10,12-13H,1-7H2/t9-,10-,11-/m0/s1
InChIKeySMENQLLQQOTWCQ-DCAQKATOSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Albicanol
CID 171360
beta-Costol
CID 12304104
Costol
CID 12304105
[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11379069
(3S)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentan-1-ol
CID 101306840
(3S)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentan-1-ol
CID 101603363
[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 154701504
2-[(1S,2S,4aR,4bR,6aR,10S,10aR,10bR,12aR)-1,4a,4b,6a,10-pentamethyl-9-methylidene-2-propan-2-yl-3,4,5,6,7,8,10,10a,10b,11,12,12a-dodecahydro-2H-chrysen-1-yl]ethanol
CID 162941683
[(1S,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11218332
[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 162932458
2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanol
CID 11172432
2-[(1S,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanol
CID 12838625

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol (CID 25053670) is [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol is C=C1C[C@]2(CO)CC[C@H]1C[C@H]2CO.
What is the InChIKey of [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is SMENQLLQQOTWCQ-DCAQKATOSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-11(7-13)3-2-9(8)4-10(11)6-12/h9-10,12-13H,1-7H2/t9-,10-,11-/m0/s1.
What are the key properties of [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
[(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 25053670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).