(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol

C9H16O2 — CID 130991408

IUPAC(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]12CC[C@@H](C[C@@H]1O)C2CO
InChIInChI=1S/C9H16O2/c1-9-3-2-6(4-8(9)11)7(9)5-10/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-,9-/m0/s1
InChIKeyUIDBPWDNLNWJJD-IVNRMCIBSA-N
MW156.22 g/mol
LogP0.78
Rot. Bonds1

About (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol

(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 130991408) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID130991408
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]12CC[C@@H](C[C@@H]1O)C2CO
InChIInChI=1S/C9H16O2/c1-9-3-2-6(4-8(9)11)7(9)5-10/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-,9-/m0/s1
InChIKeyUIDBPWDNLNWJJD-IVNRMCIBSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S,7R)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
CID 129321284
(1R,2S,3S,4S,5R)-5-(hydroxymethyl)-4-methyl-3-prop-2-enylbicyclo[2.2.2]octan-2-ol
CID 15511691
(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 67940107
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
CID 11499250
(1R,2S,5R)-1,4,4-trimethylbicyclo[3.2.0]heptan-2-ol
CID 130857685
(1S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 10955280
(1S,2R,4aS,8aR)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 101048550
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
CID 143252497
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401
5,6-bis(hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 162816441
(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
CID 98468603

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol (CID 130991408) is (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol is C[C@@]12CC[C@@H](C[C@@H]1O)C2CO.
What is the InChIKey of (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is UIDBPWDNLNWJJD-IVNRMCIBSA-N. The full InChI is InChI=1S/C9H16O2/c1-9-3-2-6(4-8(9)11)7(9)5-10/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-,9-/m0/s1.
What are the key properties of (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).