2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol

C7H14O — CID 167340222

IUPAC2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
SMILESC[C@H]1C[C@@H]1C(C)(C)O
InChIInChI=1S/C7H14O/c1-5-4-6(5)7(2,3)8/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyPOMVYOSXDSAQPU-WDSKDSINSA-N
MW114.19 g/mol
LogP1.41
Rot. Bonds1

About 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol

2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol (PubChem CID 167340222) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
PubChem CID167340222
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
SMILESC[C@H]1C[C@@H]1C(C)(C)O
InChIInChI=1S/C7H14O/c1-5-4-6(5)7(2,3)8/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyPOMVYOSXDSAQPU-WDSKDSINSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-hydroxypropan-2-yl)-5-methylcyclohexane-1,4-diol
CID 85106753
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
CID 40512915
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol
CID 155621775
2-[(3S)-4-(2-hydroxypropan-2-yl)-5-methyloxan-3-yl]propan-2-ol
CID 155621771
4-amino-2-(2-methylcyclopropyl)butan-2-ol
CID 130690519
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methyl-2-(2-methylcyclopropyl)propanoic acid
CID 57203804
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol
CID 131093339
(3S,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-ol
CID 44559304

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol?
The IUPAC name of 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol (CID 167340222) is 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol?
The canonical SMILES for 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol is C[C@H]1C[C@@H]1C(C)(C)O.
What is the InChIKey of 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol?
The InChIKey is POMVYOSXDSAQPU-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14O/c1-5-4-6(5)7(2,3)8/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol?
2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol has a molecular weight of 114.19 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 2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol is sourced from PubChem (CID 167340222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).