2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol

C13H26O5 — CID 143391198

IUPAC2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
SMILESCC1(C)OCC(C2CCCO2)O1.COC(C)(C)O
InChIInChI=1S/C9H16O3.C4H10O2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7;1-4(2,5)6-3/h7-8H,3-6H2,1-2H3;5H,1-3H3
InChIKeyQHRWSKNEUIUFPY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.68
Rot. Bonds2

About 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol

2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol (PubChem CID 143391198) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
PubChem CID143391198
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
SMILESCC1(C)OCC(C2CCCO2)O1.COC(C)(C)O
InChIInChI=1S/C9H16O3.C4H10O2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7;1-4(2,5)6-3/h7-8H,3-6H2,1-2H3;5H,1-3H3
InChIKeyQHRWSKNEUIUFPY-UHFFFAOYSA-N
XLogP1.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
(4aS,9aR)-7,7-dimethyl-3,4,4a,5,9,9a-hexahydro-2H-pyrano[2,3-e][1,3]dioxepine
CID 101076749
4-[(2S,3R)-3-fluorooxolan-2-yl]-2,2-dimethyl-1,3-dioxolane;propane-2,2-diol
CID 167510900
2-(oxiran-2-yl)oxolane
CID 18759351
[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate
CID 176697932
(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
CID 11030522
2-methoxypropan-2-ol;2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450312
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
(1S,5S,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethyl-2,4-dioxabicyclo[3.1.1]heptan-1-ol
CID 98549014
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433
[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
CID 46211083
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol?
The IUPAC name of 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol (CID 143391198) is 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol.
What is the SMILES notation for 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol?
The canonical SMILES for 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol is CC1(C)OCC(C2CCCO2)O1.COC(C)(C)O.
What is the InChIKey of 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol?
The InChIKey is QHRWSKNEUIUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C4H10O2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7;1-4(2,5)6-3/h7-8H,3-6H2,1-2H3;5H,1-3H3.
What are the key properties of 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol?
2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol is sourced from PubChem (CID 143391198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).