2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

C18H30O2 — CID 118976569

IUPAC2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESCC1CCC2CC3CC12C(C)(C)C1(C)OC(C)(C)OC31
InChIInChI=1S/C18H30O2/c1-11-7-8-13-9-12-10-18(11,13)15(2,3)17(6)14(12)19-16(4,5)20-17/h11-14H,7-10H2,1-6H3
InChIKeyAOBFCFPEGLIJGZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.38
Rot. Bonds

About 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (PubChem CID 118976569) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.

Molecular Properties

Compound Name2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
PubChem CID118976569
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESCC1CCC2CC3CC12C(C)(C)C1(C)OC(C)(C)OC31
InChIInChI=1S/C18H30O2/c1-11-7-8-13-9-12-10-18(11,13)15(2,3)17(6)14(12)19-16(4,5)20-17/h11-14H,7-10H2,1-6H3
InChIKeyAOBFCFPEGLIJGZ-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The IUPAC name of 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (CID 118976569) is 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.
What is the SMILES notation for 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The canonical SMILES for 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is CC1CCC2CC3CC12C(C)(C)C1(C)OC(C)(C)OC31.
What is the InChIKey of 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The InChIKey is AOBFCFPEGLIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-11-7-8-13-9-12-10-18(11,13)15(2,3)17(6)14(12)19-16(4,5)20-17/h11-14H,7-10H2,1-6H3.
What are the key properties of 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane has a molecular weight of 278.44 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is sourced from PubChem (CID 118976569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).