(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane

C18H32O2 — CID 145389257

IUPAC(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane
SMILESC[C@@H]1CC[C@@H]2C[C@@H]3OC(C)(C)OC3(C)[C@H](CC1)C2(C)C
InChIInChI=1S/C18H32O2/c1-12-7-9-13-11-15-18(6,20-17(4,5)19-15)14(10-8-12)16(13,2)3/h12-15H,7-11H2,1-6H3/t12-,13-,14-,15+,18?/m1/s1
InChIKeyJNQDLGDUBYQSLS-WNFPOHNXSA-N
MW280.45 g/mol
LogP4.77
Rot. Bonds

About (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane

(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane (PubChem CID 145389257) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane.

Molecular Properties

Compound Name(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane
PubChem CID145389257
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane
SMILESC[C@@H]1CC[C@@H]2C[C@@H]3OC(C)(C)OC3(C)[C@H](CC1)C2(C)C
InChIInChI=1S/C18H32O2/c1-12-7-9-13-11-15-18(6,20-17(4,5)19-15)14(10-8-12)16(13,2)3/h12-15H,7-11H2,1-6H3/t12-,13-,14-,15+,18?/m1/s1
InChIKeyJNQDLGDUBYQSLS-WNFPOHNXSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane with MolForge

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Related Compounds

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CID 56972088
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Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane?
The IUPAC name of (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane (CID 145389257) is (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane.
What is the SMILES notation for (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane?
The canonical SMILES for (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane is C[C@@H]1CC[C@@H]2C[C@@H]3OC(C)(C)OC3(C)[C@H](CC1)C2(C)C.
What is the InChIKey of (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane?
The InChIKey is JNQDLGDUBYQSLS-WNFPOHNXSA-N. The full InChI is InChI=1S/C18H32O2/c1-12-7-9-13-11-15-18(6,20-17(4,5)19-15)14(10-8-12)16(13,2)3/h12-15H,7-11H2,1-6H3/t12-,13-,14-,15+,18?/m1/s1.
What are the key properties of (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane?
(1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane has a molecular weight of 280.45 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R,11R)-2,4,4,11,14,14-hexamethyl-3,5-dioxatricyclo[6.5.1.02,6]tetradecane is sourced from PubChem (CID 145389257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).