2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane

C20H34O2 — CID 23561028

IUPAC2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCCC1CC(CC)C2C3CC(CC3CCC3(C)OCCO3)C12
InChIInChI=1S/C20H34O2/c1-4-13-10-14(5-2)19-17-12-16(18(13)19)11-15(17)6-7-20(3)21-8-9-22-20/h13-19H,4-12H2,1-3H3
InChIKeySGTCVILDSGXAMZ-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.87
Rot. Bonds5

About 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane

2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane (PubChem CID 23561028) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane
PubChem CID23561028
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCCC1CC(CC)C2C3CC(CC3CCC3(C)OCCO3)C12
InChIInChI=1S/C20H34O2/c1-4-13-10-14(5-2)19-17-12-16(18(13)19)11-15(17)6-7-20(3)21-8-9-22-20/h13-19H,4-12H2,1-3H3
InChIKeySGTCVILDSGXAMZ-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane with MolForge

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Related Compounds

(3'alpha,4'alpha,7'alpha,7'aalpha)-octahydrospiro(1,3-dioxolane-2,5'-(4,7)methano(5H)indene)
CID 85878
4,8-Bis[[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]methyl]tricyclo[5.2.1.02,6]decane
CID 21053452
(1'R,2'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116153
9',10'-Dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]
CID 20762830
2-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolane
CID 23560945
2-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane
CID 23560947
2-[3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)propyl]-1,3-dioxolane
CID 23560953
2-[4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)butyl]-1,3-dioxolane
CID 23560956
2-[5-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-1,3-dioxolane
CID 23560962
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
CID 23560965
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane
CID 23560967
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methyl-1,3-dioxolane
CID 23560969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane (CID 23561028) is 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane is CCC1CC(CC)C2C3CC(CC3CCC3(C)OCCO3)C12.
What is the InChIKey of 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is SGTCVILDSGXAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-4-13-10-14(5-2)19-17-12-16(18(13)19)11-15(17)6-7-20(3)21-8-9-22-20/h13-19H,4-12H2,1-3H3.
What are the key properties of 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane?
2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 306.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 23561028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).