[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol

C9H14O — CID 12644101

IUPAC[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
SMILESOC[C@@]12CC[C@@H](C1)[C@H]1C[C@H]12
InChIInChI=1S/C9H14O/c10-5-9-2-1-6(4-9)7-3-8(7)9/h6-8,10H,1-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyBUJGXHMXDJNXMU-JQCXWYLXSA-N
MW138.21 g/mol
LogP1.41
Rot. Bonds1

About [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol

[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol (PubChem CID 12644101) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
PubChem CID12644101
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
SMILESOC[C@@]12CC[C@@H](C1)[C@H]1C[C@H]12
InChIInChI=1S/C9H14O/c10-5-9-2-1-6(4-9)7-3-8(7)9/h6-8,10H,1-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyBUJGXHMXDJNXMU-JQCXWYLXSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol with MolForge

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Related Compounds

1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
CID 85373343
[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 7188315
[(2R,4S)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 11889225
2-[1-(acetyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 135181106
ethyl (1S,4S)-tricyclo[3.2.1.02,4]octane-1-carboxylate
CID 100982051
(3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 131201463
2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 5016583
1-dec-9-enyltricyclo[5.2.1.02,6]decane
CID 57130104
1-bromotricyclo[3.3.1.02,4]nonane;hydrate
CID 141028799
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol?
The IUPAC name of [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol (CID 12644101) is [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol.
What is the SMILES notation for [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol?
The canonical SMILES for [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol is OC[C@@]12CC[C@@H](C1)[C@H]1C[C@H]12.
What is the InChIKey of [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol?
The InChIKey is BUJGXHMXDJNXMU-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H14O/c10-5-9-2-1-6(4-9)7-3-8(7)9/h6-8,10H,1-5H2/t6-,7+,8+,9+/m0/s1.
What are the key properties of [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol?
[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol has a molecular weight of 138.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol is sourced from PubChem (CID 12644101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).