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

C16H18O — CID 10955274

IUPAC(1S,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+/m0/s1
InChIKeyCGCGMTZLSGFPLL-MEDUHNTESA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds2

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

(1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene (PubChem CID 10955274) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene.

Molecular Properties

Compound Name(1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene
PubChem CID10955274
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(1S,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+/m0/s1
InChIKeyCGCGMTZLSGFPLL-MEDUHNTESA-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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Related Compounds

1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate
CID 4686311
5,6-Dihydrofluoranthene-6a(4H)-methanol
CID 56843270
(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
CID 11242054
2,7-Di-tert-butyl-9-fluorenylmethanol
CID 5107726
2-(Anthracen-9-yl)ethyl methyl ether
CID 281258
1-(Methoxymethyl)-1-methyl-2-methylideneacenaphthylene
CID 11075061
(1-Methyl-2-methylideneacenaphthylen-1-yl)methanol
CID 11117318
(1R,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene
CID 11117757
[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
CID 11745937
[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
CID 11830758

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The IUPAC name of (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene (CID 10955274) is (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene.
What is the SMILES notation for (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The canonical SMILES for (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene is COC[C@@]1(C)c2cccc3cccc(c23)[C@@H]1C.
What is the InChIKey of (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
The InChIKey is CGCGMTZLSGFPLL-MEDUHNTESA-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+/m0/s1.
What are the key properties of (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene?
(1S,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 (1S,2R)-2-(methoxymethyl)-1,2-dimethyl-1H-acenaphthylene is sourced from PubChem (CID 10955274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).