4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane

C11H22O4 — CID 13319189

IUPAC4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC(CCCC1COC(C)(C)O1)OC
InChIInChI=1S/C11H22O4/c1-11(2)14-8-9(15-11)6-5-7-10(12-3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyUMNSFEOBTCOYRK-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.93
Rot. Bonds6

About 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane

4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 13319189) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID13319189
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC(CCCC1COC(C)(C)O1)OC
InChIInChI=1S/C11H22O4/c1-11(2)14-8-9(15-11)6-5-7-10(12-3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyUMNSFEOBTCOYRK-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516
2-(6,6-dimethoxyhexyl)oxirane
CID 22101928
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
(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
CID 59269279
CID 59269279
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide
CID 70269935

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane (CID 13319189) is 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane is COC(CCCC1COC(C)(C)O1)OC.
What is the InChIKey of 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is UMNSFEOBTCOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-11(2)14-8-9(15-11)6-5-7-10(12-3)13-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane?
4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 218.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13319189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).