4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane

C22H44O4 — CID 160595612

IUPAC4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane
SMILESCCC(CC)C1OC(C)C(C)O1.CCCCC(CC)C1OC(C)C(C)O1
InChIInChI=1S/C12H24O2.C10H20O2/c1-5-7-8-11(6-2)12-13-9(3)10(4)14-12;1-5-9(6-2)10-11-7(3)8(4)12-10/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3
InChIKeyRDOYCZHSTWOIOF-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.93
Rot. Bonds8

About 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane

4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane (PubChem CID 160595612) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane
PubChem CID160595612
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane
SMILESCCC(CC)C1OC(C)C(C)O1.CCCCC(CC)C1OC(C)C(C)O1
InChIInChI=1S/C12H24O2.C10H20O2/c1-5-7-8-11(6-2)12-13-9(3)10(4)14-12;1-5-9(6-2)10-11-7(3)8(4)12-10/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3
InChIKeyRDOYCZHSTWOIOF-UHFFFAOYSA-N
XLogP5.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

2-heptan-3-yl-1,3-dioxepane
CID 71392815
2-decan-4-yl-3-methyloxirane
CID 88790238
1-(2-heptan-3-yl-1,3-dioxol-4-yl)-N-[(2-heptan-3-yl-1,3-dioxol-4-yl)methyl]methanamine
CID 156698303
2-methyl-3-(6-methylheptan-3-yl)oxirane
CID 90735905
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
2-hexan-2-yl-3-nonan-5-yloxirane
CID 123413596
3-(2,2-dimethylheptan-3-yl)dioxirane
CID 90981245
(5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 23199352
4,5-diethylnonane
CID 21188862
2-(5-ethylicosyl)-3-methyloxirane
CID 123198563
2-dodecan-5-yl-1,3-dioxane
CID 174238614
1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
CID 123143515

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane (CID 160595612) is 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane is CCC(CC)C1OC(C)C(C)O1.CCCCC(CC)C1OC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane?
The InChIKey is RDOYCZHSTWOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H20O2/c1-5-7-8-11(6-2)12-13-9(3)10(4)14-12;1-5-9(6-2)10-11-7(3)8(4)12-10/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane?
4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane has a molecular weight of 372.59 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 160595612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).