(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane

C15H28O4 — CID 164948265

IUPAC(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)OC[C@]12O[C@@H](C)[C@@H](OC[C@H]1C)C2OC(C)C
InChIInChI=1S/C15H28O4/c1-9(2)17-8-15-11(5)7-16-13(12(6)19-15)14(15)18-10(3)4/h9-14H,7-8H2,1-6H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeyLMSDCBSZVDQDRX-LJIAPDMLSA-N
MW272.38 g/mol
LogP2.40
Rot. Bonds5

About (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane

(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 164948265) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
PubChem CID164948265
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)OC[C@]12O[C@@H](C)[C@@H](OC[C@H]1C)C2OC(C)C
InChIInChI=1S/C15H28O4/c1-9(2)17-8-15-11(5)7-16-13(12(6)19-15)14(15)18-10(3)4/h9-14H,7-8H2,1-6H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeyLMSDCBSZVDQDRX-LJIAPDMLSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane (CID 164948265) is (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane is CC(C)OC[C@]12O[C@@H](C)[C@@H](OC[C@H]1C)C2OC(C)C.
What is the InChIKey of (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is LMSDCBSZVDQDRX-LJIAPDMLSA-N. The full InChI is InChI=1S/C15H28O4/c1-9(2)17-8-15-11(5)7-16-13(12(6)19-15)14(15)18-10(3)4/h9-14H,7-8H2,1-6H3/t11-,12+,13-,14?,15+/m1/s1.
What are the key properties of (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 272.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 164948265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).