(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol

C12H18O2 — CID 130978565

IUPAC(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol
SMILESC=C1[C@@H]2C[C@@H](O)[C@]13CCCC[C@]23CO
InChIInChI=1S/C12H18O2/c1-8-9-6-10(14)12(8)5-3-2-4-11(9,12)7-13/h9-10,13-14H,1-7H2/t9-,10+,11-,12-/m0/s1
InChIKeyRIIFSCGUHCGHSU-USZNOCQGSA-N
MW194.27 g/mol
LogP1.48
Rot. Bonds1

About (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol

(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol (PubChem CID 130978565) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol.

Molecular Properties

Compound Name(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol
PubChem CID130978565
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol
SMILESC=C1[C@@H]2C[C@@H](O)[C@]13CCCC[C@]23CO
InChIInChI=1S/C12H18O2/c1-8-9-6-10(14)12(8)5-3-2-4-11(9,12)7-13/h9-10,13-14H,1-7H2/t9-,10+,11-,12-/m0/s1
InChIKeyRIIFSCGUHCGHSU-USZNOCQGSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.48
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

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CID 163107144
4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol
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(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
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[(1R,2R,9S,10S)-1,2,9-tris(hydroxymethyl)-2-methoxy-10-bicyclo[7.1.0]decanyl]methanol
CID 101097003
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CID 139068492
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CID 71396143
(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol
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[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol?
The IUPAC name of (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol (CID 130978565) is (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol.
What is the SMILES notation for (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol?
The canonical SMILES for (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol is C=C1[C@@H]2C[C@@H](O)[C@]13CCCC[C@]23CO.
What is the InChIKey of (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol?
The InChIKey is RIIFSCGUHCGHSU-USZNOCQGSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-9-6-10(14)12(8)5-3-2-4-11(9,12)7-13/h9-10,13-14H,1-7H2/t9-,10+,11-,12-/m0/s1.
What are the key properties of (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol?
(1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol has a molecular weight of 194.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,9R)-6-(hydroxymethyl)-10-methylidenetricyclo[5.2.1.01,6]decan-9-ol is sourced from PubChem (CID 130978565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).