2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane

C12H24O2 — CID 91236207

IUPAC2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCC1(C(C)C)OC(C)C(C)O1
InChIInChI=1S/C12H24O2/c1-6-7-8-12(9(2)3)13-10(4)11(5)14-12/h9-11H,6-8H2,1-5H3
InChIKeyFROVEDSFNFPDAM-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.35
Rot. Bonds4

About 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane

2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 91236207) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
PubChem CID91236207
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCC1(C(C)C)OC(C)C(C)O1
InChIInChI=1S/C12H24O2/c1-6-7-8-12(9(2)3)13-10(4)11(5)14-12/h9-11H,6-8H2,1-5H3
InChIKeyFROVEDSFNFPDAM-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66926207
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
2-butyl-3-chloro-2-methyloxirane
CID 141187882
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
CID 69074201
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
(2R,4S)-4-hexyl-4,6,6-trimethyl-2-propan-2-yl-1,3-dioxane
CID 134936917
3-butyl-3-methyloxirane-2-carbonitrile
CID 130786664

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane (CID 91236207) is 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane is CCCCC1(C(C)C)OC(C)C(C)O1.
What is the InChIKey of 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is FROVEDSFNFPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7-8-12(9(2)3)13-10(4)11(5)14-12/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 200.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 91236207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).