ethane;2-methyl-1-propan-2-ylnaphthalene

C16H22 — CID 144871891

IUPACethane;2-methyl-1-propan-2-ylnaphthalene
SMILESCC.Cc1ccc2ccccc2c1C(C)C
InChIInChI=1S/C14H16.C2H6/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-2/h4-10H,1-3H3;1-2H3
InChIKeyKAAYCTNADSTDQS-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.30
Rot. Bonds1

About ethane;2-methyl-1-propan-2-ylnaphthalene

ethane;2-methyl-1-propan-2-ylnaphthalene (PubChem CID 144871891) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;2-methyl-1-propan-2-ylnaphthalene.

Molecular Properties

Compound Nameethane;2-methyl-1-propan-2-ylnaphthalene
PubChem CID144871891
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Nameethane;2-methyl-1-propan-2-ylnaphthalene
SMILESCC.Cc1ccc2ccccc2c1C(C)C
InChIInChI=1S/C14H16.C2H6/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-2/h4-10H,1-3H3;1-2H3
InChIKeyKAAYCTNADSTDQS-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1,2-dimethylnaphthalene;ethane
CID 90922397
N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
CID 81432711
1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
CID 81431735
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-propan-2-ylnaphthalene?
The IUPAC name of ethane;2-methyl-1-propan-2-ylnaphthalene (CID 144871891) is ethane;2-methyl-1-propan-2-ylnaphthalene.
What is the SMILES notation for ethane;2-methyl-1-propan-2-ylnaphthalene?
The canonical SMILES for ethane;2-methyl-1-propan-2-ylnaphthalene is CC.Cc1ccc2ccccc2c1C(C)C.
What is the InChIKey of ethane;2-methyl-1-propan-2-ylnaphthalene?
The InChIKey is KAAYCTNADSTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-propan-2-ylnaphthalene?
ethane;2-methyl-1-propan-2-ylnaphthalene has a molecular weight of 214.35 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-propan-2-ylnaphthalene is sourced from PubChem (CID 144871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).