2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane

C18H32O3 — CID 54185574

IUPAC2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
SMILESCC(CC1CCCO1)C1CCC(C(C)CC2CCCO2)O1
InChIInChI=1S/C18H32O3/c1-13(11-15-5-3-9-19-15)17-7-8-18(21-17)14(2)12-16-6-4-10-20-16/h13-18H,3-12H2,1-2H3
InChIKeyPEVVMSRRRUOBRJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.94
Rot. Bonds6

About 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane

2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane (PubChem CID 54185574) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane.

Molecular Properties

Compound Name2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
PubChem CID54185574
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
SMILESCC(CC1CCCO1)C1CCC(C(C)CC2CCCO2)O1
InChIInChI=1S/C18H32O3/c1-13(11-15-5-3-9-19-15)17-7-8-18(21-17)14(2)12-16-6-4-10-20-16/h13-18H,3-12H2,1-2H3
InChIKeyPEVVMSRRRUOBRJ-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane
CID 143383012
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-(2,3-dimethylbutyl)oxane
CID 167069415
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
CID 7015881

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane?
The IUPAC name of 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane (CID 54185574) is 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane.
What is the SMILES notation for 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane?
The canonical SMILES for 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane is CC(CC1CCCO1)C1CCC(C(C)CC2CCCO2)O1.
What is the InChIKey of 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane?
The InChIKey is PEVVMSRRRUOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-13(11-15-5-3-9-19-15)17-7-8-18(21-17)14(2)12-16-6-4-10-20-16/h13-18H,3-12H2,1-2H3.
What are the key properties of 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane?
2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane has a molecular weight of 296.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane is sourced from PubChem (CID 54185574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).