2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane

C15H28O4 — CID 137496015

IUPAC2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCC2(C)OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C15H28O4/c1-12(2)13(3,4)19-15(7,18-12)9-8-11-10-16-14(5,6)17-11/h11H,8-10H2,1-7H3
InChIKeyGMDTUOJHTBLDOV-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.24
Rot. Bonds3

About 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane

2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 137496015) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID137496015
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCC2(C)OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C15H28O4/c1-12(2)13(3,4)19-15(7,18-12)9-8-11-10-16-14(5,6)17-11/h11H,8-10H2,1-7H3
InChIKeyGMDTUOJHTBLDOV-UHFFFAOYSA-N
XLogP3.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane with MolForge

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Related Compounds

CID 59269279
CID 59269279
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 66849166
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
CID 86615867
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 137496015) is 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane is CC1(C)OCC(CCC2(C)OC(C)(C)C(C)(C)O2)O1.
What is the InChIKey of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is GMDTUOJHTBLDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-12(2)13(3,4)19-15(7,18-12)9-8-11-10-16-14(5,6)17-11/h11H,8-10H2,1-7H3.
What are the key properties of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane?
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 272.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 137496015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).