1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol

C10H20O2 — CID 169304087

IUPAC1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C(C)O)OC1
InChIInChI=1S/C10H20O2/c1-7(2)9-4-5-10(8(3)11)12-6-9/h7-11H,4-6H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyKWIZTHQTXPJWND-XVBQNVSMSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds2

About 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol

1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol (PubChem CID 169304087) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol
PubChem CID169304087
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C(C)O)OC1
InChIInChI=1S/C10H20O2/c1-7(2)9-4-5-10(8(3)11)12-6-9/h7-11H,4-6H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyKWIZTHQTXPJWND-XVBQNVSMSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol
CID 88929555
4-propan-2-ylcyclohexan-1-ol
CID 159817143
N,N-dimethyl-5-propan-2-yloxane-2-carboxamide
CID 121459840
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(1S)-2-methyl-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 12636241
2-(methoxymethyl)-5-propan-2-yloxane
CID 174288739
(1S,2R)-1-[(2S)-(2,3-13C2)oxiran-2-yl]-2-[(2R)-(2,3-13C2)oxiran-2-yl](1,2-13C2)ethane-1,2-diol
CID 169439479
(1R)-1-[(2R)-oxiran-2-yl]-2-[(2S)-oxiran-2-yl]ethane-1,2-diol
CID 170000546
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
(1S,2R)-3-methyl-1-[(2S)-oxiran-2-yl]butane-1,2-diol
CID 130928747
1-(oxiran-2-yl)-N,N-bis(phosphanyl)ethanamine
CID 20718052
1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine
CID 155484059

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol?
The IUPAC name of 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol (CID 169304087) is 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol?
The canonical SMILES for 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol is CC(C)[C@@H]1CC[C@@H](C(C)O)OC1.
What is the InChIKey of 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol?
The InChIKey is KWIZTHQTXPJWND-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9-4-5-10(8(3)11)12-6-9/h7-11H,4-6H2,1-3H3/t8?,9-,10+/m1/s1.
What are the key properties of 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol?
1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-propan-2-yloxan-2-yl]ethanol is sourced from PubChem (CID 169304087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).