[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol

C12H20O2 — CID 170200761

IUPAC[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
SMILESOCC1C[C@@H]2C3CC(CC3CO)[C@@H]2C1
InChIInChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2/t7?,8?,9?,10-,11?,12-/m0/s1
InChIKeyZFZDWMXUMXACHS-ONHWYDLISA-N
MW196.29 g/mol
LogP1.27
Rot. Bonds2

About [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol

[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol (PubChem CID 170200761) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol.

Molecular Properties

Compound Name[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
PubChem CID170200761
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
SMILESOCC1C[C@@H]2C3CC(CC3CO)[C@@H]2C1
InChIInChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2/t7?,8?,9?,10-,11?,12-/m0/s1
InChIKeyZFZDWMXUMXACHS-ONHWYDLISA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
CID 159531057
[4-(nitrosomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 118501069
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
4-O-[[4-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl] 1-O,2-O-bis[[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] benzene-1,2,4-tricarboxylate
CID 59798461
4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
CID 156753274
[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 20676849
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653
3-O-[[4-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl] 1-O-[[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 88988181

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The IUPAC name of [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol (CID 170200761) is [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol.
What is the SMILES notation for [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The canonical SMILES for [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol is OCC1C[C@@H]2C3CC(CC3CO)[C@@H]2C1.
What is the InChIKey of [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The InChIKey is ZFZDWMXUMXACHS-ONHWYDLISA-N. The full InChI is InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2/t7?,8?,9?,10-,11?,12-/m0/s1.
What are the key properties of [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol is sourced from PubChem (CID 170200761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).