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

C9H18O2 — CID 11171126

IUPAC(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
SMILESC[C@@H](O)CC[C@H]1CCCCO1
InChIInChI=1S/C9H18O2/c1-8(10)5-6-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyKSRAZMDZHSPGDC-RKDXNWHRSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds3

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

(2R)-4-[(2R)-oxan-2-yl]butan-2-ol (PubChem CID 11171126) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-4-[(2R)-oxan-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
PubChem CID11171126
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
SMILESC[C@@H](O)CC[C@H]1CCCCO1
InChIInChI=1S/C9H18O2/c1-8(10)5-6-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyKSRAZMDZHSPGDC-RKDXNWHRSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
CID 79411600
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-oxan-2-yl]butan-2-ol?
The IUPAC name of (2R)-4-[(2R)-oxan-2-yl]butan-2-ol (CID 11171126) is (2R)-4-[(2R)-oxan-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-4-[(2R)-oxan-2-yl]butan-2-ol?
The canonical SMILES for (2R)-4-[(2R)-oxan-2-yl]butan-2-ol is C[C@@H](O)CC[C@H]1CCCCO1.
What is the InChIKey of (2R)-4-[(2R)-oxan-2-yl]butan-2-ol?
The InChIKey is KSRAZMDZHSPGDC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(10)5-6-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R)-4-[(2R)-oxan-2-yl]butan-2-ol?
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-oxan-2-yl]butan-2-ol is sourced from PubChem (CID 11171126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).