(2R,3S)-2-butyl-4-pentyloxolan-3-ol

C13H26O2 — CID 10965887

IUPAC(2R,3S)-2-butyl-4-pentyloxolan-3-ol
SMILESCCCCCC1CO[C@H](CCCC)[C@H]1O
InChIInChI=1S/C13H26O2/c1-3-5-7-8-11-10-15-12(13(11)14)9-6-4-2/h11-14H,3-10H2,1-2H3/t11?,12-,13+/m1/s1
InChIKeyLGMMUTZUNSUWPM-HDYSRYHKSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds7

About (2R,3S)-2-butyl-4-pentyloxolan-3-ol

(2R,3S)-2-butyl-4-pentyloxolan-3-ol (PubChem CID 10965887) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R,3S)-2-butyl-4-pentyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-butyl-4-pentyloxolan-3-ol
PubChem CID10965887
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(2R,3S)-2-butyl-4-pentyloxolan-3-ol
SMILESCCCCCC1CO[C@H](CCCC)[C@H]1O
InChIInChI=1S/C13H26O2/c1-3-5-7-8-11-10-15-12(13(11)14)9-6-4-2/h11-14H,3-10H2,1-2H3/t11?,12-,13+/m1/s1
InChIKeyLGMMUTZUNSUWPM-HDYSRYHKSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-tetradecyloxolan-3-ol
CID 20764167
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
3-methyl-2-pentyloxetane
CID 20557182
3-butyloxiran-2-ol;2-methyloxirane
CID 18471520
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
3-pentyloxolan-2-ol
CID 13291787
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(2R)-2-pentyloxirane
CID 11147691
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
2-butyl-3-undecyloxirane
CID 88518775
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(2R,3S)-2-octyl-3-pentyloxane
CID 20849211

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-butyl-4-pentyloxolan-3-ol?
The IUPAC name of (2R,3S)-2-butyl-4-pentyloxolan-3-ol (CID 10965887) is (2R,3S)-2-butyl-4-pentyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-butyl-4-pentyloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-butyl-4-pentyloxolan-3-ol is CCCCCC1CO[C@H](CCCC)[C@H]1O.
What is the InChIKey of (2R,3S)-2-butyl-4-pentyloxolan-3-ol?
The InChIKey is LGMMUTZUNSUWPM-HDYSRYHKSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-7-8-11-10-15-12(13(11)14)9-6-4-2/h11-14H,3-10H2,1-2H3/t11?,12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-butyl-4-pentyloxolan-3-ol?
(2R,3S)-2-butyl-4-pentyloxolan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-butyl-4-pentyloxolan-3-ol is sourced from PubChem (CID 10965887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).