1-ethyl-2,2-dimethyl-1H-acenaphthylene

C16H18 — CID 172628060

IUPAC1-ethyl-2,2-dimethyl-1H-acenaphthylene
SMILESCCC1c2cccc3cccc(c23)C1(C)C
InChIInChI=1S/C16H18/c1-4-13-12-9-5-7-11-8-6-10-14(15(11)12)16(13,2)3/h5-10,13H,4H2,1-3H3
InChIKeyBUDKYBSORZCBIG-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.62
Rot. Bonds1

About 1-ethyl-2,2-dimethyl-1H-acenaphthylene

1-ethyl-2,2-dimethyl-1H-acenaphthylene (PubChem CID 172628060) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1H-acenaphthylene.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1H-acenaphthylene
PubChem CID172628060
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-2,2-dimethyl-1H-acenaphthylene
SMILESCCC1c2cccc3cccc(c23)C1(C)C
InChIInChI=1S/C16H18/c1-4-13-12-9-5-7-11-8-6-10-14(15(11)12)16(13,2)3/h5-10,13H,4H2,1-3H3
InChIKeyBUDKYBSORZCBIG-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
CID 166056915
2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
CID 86048106
1-phenanthren-4-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15317954
2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
CID 166533770
sodium (1R,2S)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
CID 134980074
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
CID 11053773
2-ethyl-1,2-dihydrobenzo[cd]indole
CID 162781792
butane;perylene
CID 159762170
2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
CID 134887514
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-1H-acenaphthylene?
The IUPAC name of 1-ethyl-2,2-dimethyl-1H-acenaphthylene (CID 172628060) is 1-ethyl-2,2-dimethyl-1H-acenaphthylene.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1H-acenaphthylene?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1H-acenaphthylene is CCC1c2cccc3cccc(c23)C1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1H-acenaphthylene?
The InChIKey is BUDKYBSORZCBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-4-13-12-9-5-7-11-8-6-10-14(15(11)12)16(13,2)3/h5-10,13H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1H-acenaphthylene?
1-ethyl-2,2-dimethyl-1H-acenaphthylene has a molecular weight of 210.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1H-acenaphthylene is sourced from PubChem (CID 172628060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).