(4S)-4-(2-methylpropyl)oxolan-2-ol

C8H16O2 — CID 142907963

IUPAC(4S)-4-(2-methylpropyl)oxolan-2-ol
SMILESCC(C)C[C@@H]1COC(O)C1
InChIInChI=1S/C8H16O2/c1-6(2)3-7-4-8(9)10-5-7/h6-9H,3-5H2,1-2H3/t7-,8?/m0/s1
InChIKeyGUOINQXKBICPPF-JAMMHHFISA-N
MW144.21 g/mol
LogP1.39
Rot. Bonds2

About (4S)-4-(2-methylpropyl)oxolan-2-ol

(4S)-4-(2-methylpropyl)oxolan-2-ol (PubChem CID 142907963) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)oxolan-2-ol
PubChem CID142907963
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4S)-4-(2-methylpropyl)oxolan-2-ol
SMILESCC(C)C[C@@H]1COC(O)C1
InChIInChI=1S/C8H16O2/c1-6(2)3-7-4-8(9)10-5-7/h6-9H,3-5H2,1-2H3/t7-,8?/m0/s1
InChIKeyGUOINQXKBICPPF-JAMMHHFISA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-(bromomethyl)-5-methylhexanoate;methane;(4S)-4-(2-methylpropyl)oxolan-2-ol
CID 142907962
4-methyloxolan-2-ol
CID 11007834
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
(2S,4S,5S)-oxane-2,4,5-triol
CID 11859680
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 121406246
(3R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 145106733
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
CID 6581896
[3-(2-methylpropyl)cyclopentyl]methanol
CID 90809607
6-(2-methylpropyl)oxane-2,4,5-triol
CID 20758150
3-(2-methylpropyl)-5-propylcyclohexan-1-ol
CID 58534540
7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 146263836

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpropyl)oxolan-2-ol?
The IUPAC name of (4S)-4-(2-methylpropyl)oxolan-2-ol (CID 142907963) is (4S)-4-(2-methylpropyl)oxolan-2-ol.
What is the SMILES notation for (4S)-4-(2-methylpropyl)oxolan-2-ol?
The canonical SMILES for (4S)-4-(2-methylpropyl)oxolan-2-ol is CC(C)C[C@@H]1COC(O)C1.
What is the InChIKey of (4S)-4-(2-methylpropyl)oxolan-2-ol?
The InChIKey is GUOINQXKBICPPF-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)3-7-4-8(9)10-5-7/h6-9H,3-5H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)oxolan-2-ol?
(4S)-4-(2-methylpropyl)oxolan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpropyl)oxolan-2-ol is sourced from PubChem (CID 142907963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).