[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol

C12H18O2 — CID 15508536

IUPAC[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
SMILESOCC1C2CC(C3CC=CC23)C1CO
InChIInChI=1S/C12H18O2/c13-5-11-9-4-10(12(11)6-14)8-3-1-2-7(8)9/h1-2,7-14H,3-6H2
InChIKeyLBNZKSLEAKXWLQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.05
Rot. Bonds2

About [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol

[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol (PubChem CID 15508536) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol.

Molecular Properties

Compound Name[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
PubChem CID15508536
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
SMILESOCC1C2CC(C3CC=CC23)C1CO
InChIInChI=1S/C12H18O2/c13-5-11-9-4-10(12(11)6-14)8-3-1-2-7(8)9/h1-2,7-14H,3-6H2
InChIKeyLBNZKSLEAKXWLQ-UHFFFAOYSA-N
XLogP1.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
CID 59653739
[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
CID 15508538
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
[3-fluoro-4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 23215678
9-butyl-8-(3-ethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]dec-3-ene
CID 59804621
[4,7-bis(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl] propanoate
CID 175420870
(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
CID 11094632
(1R,7S,8R,12S)-3-ethyl-3-aluminatetracyclo[5.5.1.02,6.08,12]tridec-9-ene
CID 177478102

Frequently Asked Questions

What is the IUPAC name of [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The IUPAC name of [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol (CID 15508536) is [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol.
What is the SMILES notation for [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The canonical SMILES for [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol is OCC1C2CC(C3CC=CC23)C1CO.
What is the InChIKey of [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The InChIKey is LBNZKSLEAKXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-5-11-9-4-10(12(11)6-14)8-3-1-2-7(8)9/h1-2,7-14H,3-6H2.
What are the key properties of [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol has a molecular weight of 194.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol is sourced from PubChem (CID 15508536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).