2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane

C14H24O2 — CID 20829154

IUPAC2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
SMILESCC1COC(C)(C2(C)C3CCC(C3)C2C)O1
InChIInChI=1S/C14H24O2/c1-9-8-15-14(4,16-9)13(3)10(2)11-5-6-12(13)7-11/h9-12H,5-8H2,1-4H3
InChIKeyOMPMNOHFEAXBKQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.21
Rot. Bonds1

About 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane

2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane (PubChem CID 20829154) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
PubChem CID20829154
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
SMILESCC1COC(C)(C2(C)C3CCC(C3)C2C)O1
InChIInChI=1S/C14H24O2/c1-9-8-15-14(4,16-9)13(3)10(2)11-5-6-12(13)7-11/h9-12H,5-8H2,1-4H3
InChIKeyOMPMNOHFEAXBKQ-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl)-1,3-dioxolane
CID 21720050
1,7,7-Trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]
CID 414125
(1'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
CID 134875237
(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]
CID 134895327
2-((3,3-Dimethylbicyclo(2.2.1)hept-2-yl)methyl)tetrahydrofuran
CID 44153081
(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]
CID 10988345
7,7,8-Trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 15319386
(1'R,3'S,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 15319387
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane
CID 86251680
(+/-)-(3a'S,7a'R)-4',4',7a'-trimethyloctahydrospiro[[1,3]dioxolane-2,1'-indene]
CID 11775816
4-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one
CID 18336227
4-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolan-2-one
CID 20762815

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane?
The IUPAC name of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane (CID 20829154) is 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane is CC1COC(C)(C2(C)C3CCC(C3)C2C)O1.
What is the InChIKey of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane?
The InChIKey is OMPMNOHFEAXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-8-15-14(4,16-9)13(3)10(2)11-5-6-12(13)7-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane?
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane is sourced from PubChem (CID 20829154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).