(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

C15H26O4 — CID 170851098

IUPAC(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCCC2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C15H26O4/c1-16-13-8-12(14-10-18-15(13)19-14)17-9-11-6-4-2-3-5-7-11/h11-15H,2-10H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyLGAUSAADWULLKG-GBJTYRQASA-N
MW270.37 g/mol
LogP2.50
Rot. Bonds4

About (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 170851098) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID170851098
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCCC2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C15H26O4/c1-16-13-8-12(14-10-18-15(13)19-14)17-9-11-6-4-2-3-5-7-11/h11-15H,2-10H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyLGAUSAADWULLKG-GBJTYRQASA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Related Compounds

Multistriatin
CID 13199930
5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 545115
4,5,7-Trimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 101621365
(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane
CID 135048530
magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide
CID 135050395
lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane
CID 135050689
(1S,3R,8S,11R)-13-methoxy-1,8-dimethyl-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-6-one
CID 135067885
(1S,3R,8S,11R)-13-methoxy-8-methyl-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-6-one
CID 135067886
(1S,3S,8R,11R)-13-methoxy-1,8-dimethyl-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-6-one
CID 135069536
2-Methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane
CID 162407893
2-Methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane
CID 162408664
(1S,2S,4R,5R)-5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 10986705

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (CID 170851098) is (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCC2CCCCCC2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is LGAUSAADWULLKG-GBJTYRQASA-N. The full InChI is InChI=1S/C15H26O4/c1-16-13-8-12(14-10-18-15(13)19-14)17-9-11-6-4-2-3-5-7-11/h11-15H,2-10H2,1H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 270.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-2-(cycloheptylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 170851098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).