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

C16H28O4 — CID 170851102

IUPAC(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCCCC2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C16H28O4/c1-17-14-9-13(15-11-19-16(14)20-15)18-10-12-7-5-3-2-4-6-8-12/h12-16H,2-11H2,1H3/t13-,14+,15+,16+/m0/s1
InChIKeySAFGPFVDROSPBF-ZJIFWQFVSA-N
MW284.40 g/mol
LogP2.89
Rot. Bonds4

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

(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 170851102) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID170851102
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCCCC2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C16H28O4/c1-17-14-9-13(15-11-19-16(14)20-15)18-10-12-7-5-3-2-4-6-8-12/h12-16H,2-11H2,1H3/t13-,14+,15+,16+/m0/s1
InChIKeySAFGPFVDROSPBF-ZJIFWQFVSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (CID 170851102) is (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCC2CCCCCCC2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is SAFGPFVDROSPBF-ZJIFWQFVSA-N. The full InChI is InChI=1S/C16H28O4/c1-17-14-9-13(15-11-19-16(14)20-15)18-10-12-7-5-3-2-4-6-8-12/h12-16H,2-11H2,1H3/t13-,14+,15+,16+/m0/s1.
What are the key properties of (1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 284.40 g/mol, XLogP of 2.89, 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-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 170851102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).