(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene

C18H28O2 — CID 10901866

IUPAC(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene
SMILESCC1=CC=C2C(C)(C)CC[C@@H]3OC(C)(C)OC[C@H]1[C@]23C
InChIInChI=1S/C18H28O2/c1-12-7-8-14-16(2,3)10-9-15-18(14,6)13(12)11-19-17(4,5)20-15/h7-8,13,15H,9-11H2,1-6H3/t13-,15+,18-/m1/s1
InChIKeyUMSGAPAOKUSRFM-QIIPPGSGSA-N
MW276.42 g/mol
LogP4.47
Rot. Bonds

About (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene

(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene (PubChem CID 10901866) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene.

Molecular Properties

Compound Name(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene
PubChem CID10901866
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene
SMILESCC1=CC=C2C(C)(C)CC[C@@H]3OC(C)(C)OC[C@H]1[C@]23C
InChIInChI=1S/C18H28O2/c1-12-7-8-14-16(2,3)10-9-15-18(14,6)13(12)11-19-17(4,5)20-15/h7-8,13,15H,9-11H2,1-6H3/t13-,15+,18-/m1/s1
InChIKeyUMSGAPAOKUSRFM-QIIPPGSGSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene?
The IUPAC name of (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene (CID 10901866) is (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene.
What is the SMILES notation for (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene?
The canonical SMILES for (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene is CC1=CC=C2C(C)(C)CC[C@@H]3OC(C)(C)OC[C@H]1[C@]23C.
What is the InChIKey of (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene?
The InChIKey is UMSGAPAOKUSRFM-QIIPPGSGSA-N. The full InChI is InChI=1S/C18H28O2/c1-12-7-8-14-16(2,3)10-9-15-18(14,6)13(12)11-19-17(4,5)20-15/h7-8,13,15H,9-11H2,1-6H3/t13-,15+,18-/m1/s1.
What are the key properties of (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene?
(1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene has a molecular weight of 276.42 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,14R)-2,6,6,11,11,14-hexamethyl-10,12-dioxatricyclo[7.4.1.05,14]tetradeca-2,4-diene is sourced from PubChem (CID 10901866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).