(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

C18H30O2 — CID 88565069

IUPAC(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1OC(C)(C)O[C@@]13C
InChIInChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13+,14+,17-,18-/m1/s1
InChIKeyYJVLDTISLGRQTJ-KWUXODFUSA-N
MW278.44 g/mol
LogP4.38
Rot. Bonds

About (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (PubChem CID 88565069) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.

Molecular Properties

Compound Name(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
PubChem CID88565069
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1OC(C)(C)O[C@@]13C
InChIInChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13+,14+,17-,18-/m1/s1
InChIKeyYJVLDTISLGRQTJ-KWUXODFUSA-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

Analyze (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The IUPAC name of (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (CID 88565069) is (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.
What is the SMILES notation for (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The canonical SMILES for (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1OC(C)(C)O[C@@]13C.
What is the InChIKey of (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The InChIKey is YJVLDTISLGRQTJ-KWUXODFUSA-N. The full InChI is InChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13+,14+,17-,18-/m1/s1.
What are the key properties of (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-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 (1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is sourced from PubChem (CID 88565069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).