2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane

C15H30O4 — CID 143366601

IUPAC2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane
SMILESCC(C)OC(C)CC(C)(C)OCC1COC(C)(C)O1
InChIInChI=1S/C15H30O4/c1-11(2)18-12(3)8-14(4,5)16-9-13-10-17-15(6,7)19-13/h11-13H,8-10H2,1-7H3
InChIKeyCMOFZAJUFGXESH-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.14
Rot. Bonds7

About 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane

2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane (PubChem CID 143366601) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane
PubChem CID143366601
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane
SMILESCC(C)OC(C)CC(C)(C)OCC1COC(C)(C)O1
InChIInChI=1S/C15H30O4/c1-11(2)18-12(3)8-14(4,5)16-9-13-10-17-15(6,7)19-13/h11-13H,8-10H2,1-7H3
InChIKeyCMOFZAJUFGXESH-UHFFFAOYSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
2,2-dimethyl-4-(methylsulfanyloxymethyl)-1,3-dioxolane
CID 126562588
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
CID 164671822
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine
CID 10420609
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane (CID 143366601) is 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane is CC(C)OC(C)CC(C)(C)OCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane?
The InChIKey is CMOFZAJUFGXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-11(2)18-12(3)8-14(4,5)16-9-13-10-17-15(6,7)19-13/h11-13H,8-10H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane?
2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane has a molecular weight of 274.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-methyl-4-propan-2-yloxypentan-2-yl)oxymethyl]-1,3-dioxolane is sourced from PubChem (CID 143366601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).