(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol

C7H12O2 — CID 131201890

IUPAC(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
SMILESOC[C@H]1[C@@H]2CCC(O)[C@H]12
InChIInChI=1S/C7H12O2/c8-3-5-4-1-2-6(9)7(4)5/h4-9H,1-3H2/t4-,5-,6?,7-/m0/s1
InChIKeyMRTNKXXQCHUQRP-KQXJUZEQSA-N
MW128.17 g/mol
LogP-0.00
Rot. Bonds1

About (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol

(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol (PubChem CID 131201890) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
PubChem CID131201890
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
SMILESOC[C@H]1[C@@H]2CCC(O)[C@H]12
InChIInChI=1S/C7H12O2/c8-3-5-4-1-2-6(9)7(4)5/h4-9H,1-3H2/t4-,5-,6?,7-/m0/s1
InChIKeyMRTNKXXQCHUQRP-KQXJUZEQSA-N
XLogP-0.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bicyclo[1.1.0]butanylmethanol
CID 73001174
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
CID 130650941
(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257720
(1R,2R,5S,6R)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257721
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
CID 22483587
(1R,6R)-6-aminobicyclo[3.1.0]hexan-2-ol
CID 83814962
(1S,2R,3R,6R,7R)-tricyclo[5.3.0.02,6]decan-3-ol
CID 39353118
[(1R,2S,3S,4S,6R,7R,8R,9S,10R,11R,12R,13S,14S,15S,17R,18R,19R,20S)-11,21,22-tris(hydroxymethyl)-5,16-dimethyl-10-decacyclo[18.2.2.29,12.13,18.17,14.02,19.04,17.05,16.06,15.08,13]octacosanyl]methanol
CID 10768357
[(1S,4R,6S,9R)-12-(hydroxymethyl)-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienyl]methanol
CID 12573128

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol (CID 131201890) is (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol is OC[C@H]1[C@@H]2CCC(O)[C@H]12.
What is the InChIKey of (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol?
The InChIKey is MRTNKXXQCHUQRP-KQXJUZEQSA-N. The full InChI is InChI=1S/C7H12O2/c8-3-5-4-1-2-6(9)7(4)5/h4-9H,1-3H2/t4-,5-,6?,7-/m0/s1.
What are the key properties of (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol?
(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol has a molecular weight of 128.17 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 131201890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).