2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane

C14H24O2 — CID 23560969

IUPAC2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane
SMILESCC1C2CC(CC3(C)OCCO3)C(C2)C1C
InChIInChI=1S/C14H24O2/c1-9-10(2)13-7-11(9)6-12(13)8-14(3)15-4-5-16-14/h9-13H,4-8H2,1-3H3
InChIKeySCAMTXOXNLTMQY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.07
Rot. Bonds2

About 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane

2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane (PubChem CID 23560969) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane
PubChem CID23560969
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane
SMILESCC1C2CC(CC3(C)OCCO3)C(C2)C1C
InChIInChI=1S/C14H24O2/c1-9-10(2)13-7-11(9)6-12(13)8-14(3)15-4-5-16-14/h9-13H,4-8H2,1-3H3
InChIKeySCAMTXOXNLTMQY-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane with MolForge

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Related Compounds

2-(3,3-Diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103605
3-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
CID 20762812
2-(2,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
CID 20829154
2-(4-Methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl)-1,3-dioxolane
CID 21720050
2-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
CID 23555961
2-[2-(3,5-Diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane
CID 23561028
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
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
1,3-Dimethoxyoctahydro-4,7-methano-2-benzofuran
CID 13031344

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane (CID 23560969) is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane is CC1C2CC(CC3(C)OCCO3)C(C2)C1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane?
The InChIKey is SCAMTXOXNLTMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-10(2)13-7-11(9)6-12(13)8-14(3)15-4-5-16-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane?
2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 23560969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).