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

C12H20O4 — CID 70384369

IUPAC(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCC2)[C@H]2COC1O2
InChIInChI=1S/C12H20O4/c1-13-10-5-9(11-7-15-12(10)16-11)14-6-8-3-2-4-8/h8-12H,2-7H2,1H3/t9-,10+,11+,12?/m0/s1
InChIKeyLPBXMELKRRLOGZ-YZTHKRDXSA-N
MW228.29 g/mol
LogP1.33
Rot. Bonds4

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

(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 70384369) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID70384369
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCC2)[C@H]2COC1O2
InChIInChI=1S/C12H20O4/c1-13-10-5-9(11-7-15-12(10)16-11)14-6-8-3-2-4-8/h8-12H,2-7H2,1H3/t9-,10+,11+,12?/m0/s1
InChIKeyLPBXMELKRRLOGZ-YZTHKRDXSA-N
XLogP1.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 194716
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CID 194715
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CID 167510830
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CID 167510908
CID 167510908
CID 168087898
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CID 91699158
CID 91699158
CID 129803163
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CID 129845883
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CID 129878851
CID 129878851

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (CID 70384369) is (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCC2CCC2)[C@H]2COC1O2.
What is the InChIKey of (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is LPBXMELKRRLOGZ-YZTHKRDXSA-N. The full InChI is InChI=1S/C12H20O4/c1-13-10-5-9(11-7-15-12(10)16-11)14-6-8-3-2-4-8/h8-12H,2-7H2,1H3/t9-,10+,11+,12?/m0/s1.
What are the key properties of (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 228.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 70384369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).