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

C14H26O4 — CID 159551795

IUPAC(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)OC[C@]12CCO[C@@H](C1OC(C)C)[C@H](C)O2
InChIInChI=1S/C14H26O4/c1-9(2)16-8-14-6-7-15-12(11(5)18-14)13(14)17-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+,13?,14+/m0/s1
InChIKeySYZHWVFAYAGEIP-QEFRMZAXSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds5

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

(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 159551795) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
PubChem CID159551795
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)OC[C@]12CCO[C@@H](C1OC(C)C)[C@H](C)O2
InChIInChI=1S/C14H26O4/c1-9(2)16-8-14-6-7-15-12(11(5)18-14)13(14)17-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+,13?,14+/m0/s1
InChIKeySYZHWVFAYAGEIP-QEFRMZAXSA-N
XLogP2.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane (CID 159551795) is (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane is CC(C)OC[C@]12CCO[C@@H](C1OC(C)C)[C@H](C)O2.
What is the InChIKey of (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is SYZHWVFAYAGEIP-QEFRMZAXSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(2)16-8-14-6-7-15-12(11(5)18-14)13(14)17-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+,13?,14+/m0/s1.
What are the key properties of (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane?
(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 258.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 159551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).