(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane

C14H26O3 — CID 159628837

IUPAC(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)OC[C@@]12CC[C@@H](C(C)O1)[C@@H]2OC(C)C
InChIInChI=1S/C14H26O3/c1-9(2)15-8-14-7-6-12(11(5)17-14)13(14)16-10(3)4/h9-13H,6-8H2,1-5H3/t11?,12-,13-,14+/m0/s1
InChIKeyYGAYJZAHCJLRDX-PBNFFQIGSA-N
MW242.36 g/mol
LogP2.77
Rot. Bonds5

About (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane

(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane (PubChem CID 159628837) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
PubChem CID159628837
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)OC[C@@]12CC[C@@H](C(C)O1)[C@@H]2OC(C)C
InChIInChI=1S/C14H26O3/c1-9(2)15-8-14-7-6-12(11(5)17-14)13(14)16-10(3)4/h9-13H,6-8H2,1-5H3/t11?,12-,13-,14+/m0/s1
InChIKeyYGAYJZAHCJLRDX-PBNFFQIGSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane;methane;(1R,3S,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
CID 158516465
(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
CID 159551795
(1R,3S,4R)-7-dimethylphosphoryloxy-1-(methoxymethyl)-3-methyl-2-oxabicyclo[2.2.1]heptane
CID 162164576
(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane;(1S,3S,4R)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptane;(1R,5R,7S)-7-methyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
CID 164948264
(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
CID 164948265
(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
CID 90128314
[(3R,7S)-7-[hydroxy-[[(3R,7S)-3-methyl-7-propan-2-yloxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphoryl]oxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(3R,7S)-3-methyl-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] hydrogen phosphate
CID 157113260
9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane
CID 167547824
CID 174153173
CID 174153173
(1S,3S,4S,6S,7S)-6-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptane
CID 153281511
CID 20778651
CID 20778651
2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol
CID 23579102

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane (CID 159628837) is (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane is CC(C)OC[C@@]12CC[C@@H](C(C)O1)[C@@H]2OC(C)C.
What is the InChIKey of (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane?
The InChIKey is YGAYJZAHCJLRDX-PBNFFQIGSA-N. The full InChI is InChI=1S/C14H26O3/c1-9(2)15-8-14-7-6-12(11(5)17-14)13(14)16-10(3)4/h9-13H,6-8H2,1-5H3/t11?,12-,13-,14+/m0/s1.
What are the key properties of (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane?
(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane has a molecular weight of 242.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 159628837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).