2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane

C23H38 — CID 142079923

IUPAC2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane
SMILESCC.CCC.Cc1c(C)c(C(C)C)c2ccccc2c1C(C)C
InChIInChI=1S/C18H24.C3H8.C2H6/c1-11(2)17-13(5)14(6)18(12(3)4)16-10-8-7-9-15(16)17;1-3-2;1-2/h7-12H,1-6H3;3H2,1-2H3;1-2H3
InChIKeyHKBASRQBNGZDTL-UHFFFAOYSA-N
MW314.56 g/mol
LogP8.15
Rot. Bonds2

About 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane

2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane (PubChem CID 142079923) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane.

Molecular Properties

Compound Name2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane
PubChem CID142079923
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane
SMILESCC.CCC.Cc1c(C)c(C(C)C)c2ccccc2c1C(C)C
InChIInChI=1S/C18H24.C3H8.C2H6/c1-11(2)17-13(5)14(6)18(12(3)4)16-10-8-7-9-15(16)17;1-3-2;1-2/h7-12H,1-6H3;3H2,1-2H3;1-2H3
InChIKeyHKBASRQBNGZDTL-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-ethyl-10-propan-2-ylanthracene
CID 145486234
1,2-di(butan-2-yl)-3,4-dimethylnaphthalene
CID 3020866
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
3-methyl-4-propan-2-ylnaphthalen-1-ol
CID 163727490
ethane;naphthalene;propane
CID 158972865
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
ethane;9-methylanthracene;naphthalene
CID 161226057
bis(9-butan-2-yl-10-ethylanthracene);ethane;methane
CID 165083204
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane?
The IUPAC name of 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane (CID 142079923) is 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane.
What is the SMILES notation for 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane?
The canonical SMILES for 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane is CC.CCC.Cc1c(C)c(C(C)C)c2ccccc2c1C(C)C.
What is the InChIKey of 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane?
The InChIKey is HKBASRQBNGZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C3H8.C2H6/c1-11(2)17-13(5)14(6)18(12(3)4)16-10-8-7-9-15(16)17;1-3-2;1-2/h7-12H,1-6H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane?
2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane has a molecular weight of 314.56 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-di(propan-2-yl)naphthalene;ethane;propane is sourced from PubChem (CID 142079923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).