(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C15H28O4 — CID 54024306

IUPAC(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCCCCC1(CCC)O[C@H]2O[C@H](CCC)[C@H](O)[C@H]2O1
InChIInChI=1S/C15H28O4/c1-4-7-10-15(9-6-3)18-13-12(16)11(8-5-2)17-14(13)19-15/h11-14,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15?/m1/s1
InChIKeyLBCHRHFEQYIGMG-PFNKYVCDSA-N
MW272.38 g/mol
LogP2.97
Rot. Bonds7

About (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 54024306) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID54024306
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCCCCC1(CCC)O[C@H]2O[C@H](CCC)[C@H](O)[C@H]2O1
InChIInChI=1S/C15H28O4/c1-4-7-10-15(9-6-3)18-13-12(16)11(8-5-2)17-14(13)19-15/h11-14,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15?/m1/s1
InChIKeyLBCHRHFEQYIGMG-PFNKYVCDSA-N
XLogP2.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-2-methyl-2-propan-2-yl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 54483492
(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
(3aR,5R,6S,6aR)-2,5-dibutyl-2-propyl-6-[[2-(trifluoromethyl)phenyl]methoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825492
(5R,6S,6aR)-5-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 20848807
(3aR,5R,6S,6aR)-2-butyl-6-[(2-methoxyphenyl)methoxy]-5-(2-methylpropyl)-2-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825486
(3aR,5S,6R)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 59796059
(3aS,5S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 89108856
[(4S,5S)-2,2-dibutyl-5-[[methyl-di(propan-2-yl)azaniumyl]methyl]-1,3-dioxolan-4-yl]methyl-methyl-di(propan-2-yl)azanium
CID 101357056
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(3aR,5S,6R,6aR)-2,2-dimethyl-5-(methylsulfanylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124541917
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 54024306) is (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CCCCC1(CCC)O[C@H]2O[C@H](CCC)[C@H](O)[C@H]2O1.
What is the InChIKey of (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is LBCHRHFEQYIGMG-PFNKYVCDSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-7-10-15(9-6-3)18-13-12(16)11(8-5-2)17-14(13)19-15/h11-14,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 272.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2-butyl-2,5-dipropyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 54024306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).