(2R)-4-(oxan-4-yl)butan-2-ol

C9H18O2 — CID 94422374

IUPAC(2R)-4-(oxan-4-yl)butan-2-ol
SMILESC[C@@H](O)CCC1CCOCC1
InChIInChI=1S/C9H18O2/c1-8(10)2-3-9-4-6-11-7-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyQFOMESDCMIXYRJ-MRVPVSSYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds3

About (2R)-4-(oxan-4-yl)butan-2-ol

(2R)-4-(oxan-4-yl)butan-2-ol (PubChem CID 94422374) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-4-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(oxan-4-yl)butan-2-ol
PubChem CID94422374
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R)-4-(oxan-4-yl)butan-2-ol
SMILESC[C@@H](O)CCC1CCOCC1
InChIInChI=1S/C9H18O2/c1-8(10)2-3-9-4-6-11-7-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyQFOMESDCMIXYRJ-MRVPVSSYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
CID 63357856
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
1-(oxan-4-yl)pentan-3-amine
CID 62386440
N-(2-hydroxypropyl)-3-(oxan-4-yl)propanamide
CID 84578706
2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114192008
5-cyclopropylpentan-2-ol
CID 67118909
4-(3-chlorohexyl)oxane
CID 62384630
1-(oxan-4-yl)undecan-5-ol
CID 114191725
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(oxan-4-yl)butan-2-ol?
The IUPAC name of (2R)-4-(oxan-4-yl)butan-2-ol (CID 94422374) is (2R)-4-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for (2R)-4-(oxan-4-yl)butan-2-ol?
The canonical SMILES for (2R)-4-(oxan-4-yl)butan-2-ol is C[C@@H](O)CCC1CCOCC1.
What is the InChIKey of (2R)-4-(oxan-4-yl)butan-2-ol?
The InChIKey is QFOMESDCMIXYRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(10)2-3-9-4-6-11-7-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(oxan-4-yl)butan-2-ol?
(2R)-4-(oxan-4-yl)butan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 94422374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).