(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C12H24O2 — CID 157185666

IUPAC(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CC1CCCC1
InChIInChI=1S/C12H24O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyXBXQPAUCQMDIBT-NSHDSACASA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds4

About (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 157185666) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID157185666
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CC1CCCC1
InChIInChI=1S/C12H24O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyXBXQPAUCQMDIBT-NSHDSACASA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
CID 59949582
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
CID 158732235
1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
CID 106940111
cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium
CID 8741573
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 157185666) is (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OC[C@@H](O)CC1CCCC1.
What is the InChIKey of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is XBXQPAUCQMDIBT-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 157185666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).