(3S)-3-(oxan-2-yloxy)butan-1-ol

C9H18O3 — CID 15019404

IUPAC(3S)-3-(oxan-2-yloxy)butan-1-ol
SMILESC[C@@H](CCO)OC1CCCCO1
InChIInChI=1S/C9H18O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyLBRXDVACOOJMJQ-IENPIDJESA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds4

About (3S)-3-(oxan-2-yloxy)butan-1-ol

(3S)-3-(oxan-2-yloxy)butan-1-ol (PubChem CID 15019404) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S)-3-(oxan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-(oxan-2-yloxy)butan-1-ol
PubChem CID15019404
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3S)-3-(oxan-2-yloxy)butan-1-ol
SMILESC[C@@H](CCO)OC1CCCCO1
InChIInChI=1S/C9H18O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyLBRXDVACOOJMJQ-IENPIDJESA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3S)-4-chloro-3-(oxan-2-yloxy)butan-1-ol
CID 122365358
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(oxan-2-yloxy)butan-1-ol?
The IUPAC name of (3S)-3-(oxan-2-yloxy)butan-1-ol (CID 15019404) is (3S)-3-(oxan-2-yloxy)butan-1-ol.
What is the SMILES notation for (3S)-3-(oxan-2-yloxy)butan-1-ol?
The canonical SMILES for (3S)-3-(oxan-2-yloxy)butan-1-ol is C[C@@H](CCO)OC1CCCCO1.
What is the InChIKey of (3S)-3-(oxan-2-yloxy)butan-1-ol?
The InChIKey is LBRXDVACOOJMJQ-IENPIDJESA-N. The full InChI is InChI=1S/C9H18O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (3S)-3-(oxan-2-yloxy)butan-1-ol?
(3S)-3-(oxan-2-yloxy)butan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(oxan-2-yloxy)butan-1-ol is sourced from PubChem (CID 15019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).