(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene

C16H18O — CID 11117757

IUPAC(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene
SMILESCOC[C@@]1(C)c2cccc3cccc(c23)[C@H]1C
InChIInChI=1S/C16H18O/c1-11-13-8-4-6-12-7-5-9-14(15(12)13)16(11,2)10-17-3/h4-9,11H,10H2,1-3H3/t11-,16-/m1/s1
InChIKeyCGCGMTZLSGFPLL-BDJLRTHQSA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds2

About (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene

(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene (PubChem CID 11117757) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene.

Molecular Properties

Compound Name(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene
PubChem CID11117757
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene
SMILESCOC[C@@]1(C)c2cccc3cccc(c23)[C@H]1C
InChIInChI=1S/C16H18O/c1-11-13-8-4-6-12-7-5-9-14(15(12)13)16(11,2)10-17-3/h4-9,11H,10H2,1-3H3/t11-,16-/m1/s1
InChIKeyCGCGMTZLSGFPLL-BDJLRTHQSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The IUPAC name of (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene (CID 11117757) is (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene.
What is the SMILES notation for (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The canonical SMILES for (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene is COC[C@@]1(C)c2cccc3cccc(c23)[C@H]1C.
What is the InChIKey of (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The InChIKey is CGCGMTZLSGFPLL-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H18O/c1-11-13-8-4-6-12-7-5-9-14(15(12)13)16(11,2)10-17-3/h4-9,11H,10H2,1-3H3/t11-,16-/m1/s1.
What are the key properties of (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene has a molecular weight of 226.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene is sourced from PubChem (CID 11117757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).