2,7-dimethyl-1,2-dihydronaphthalene;ethane

C14H20 — CID 142943759

IUPAC2,7-dimethyl-1,2-dihydronaphthalene;ethane
SMILESCC.Cc1ccc2c(c1)CC(C)C=C2
InChIInChI=1S/C12H14.C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-2/h3-7,10H,8H2,1-2H3;1-2H3
InChIKeyPHMQHPIMPIQKGG-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

About 2,7-dimethyl-1,2-dihydronaphthalene;ethane

2,7-dimethyl-1,2-dihydronaphthalene;ethane (PubChem CID 142943759) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,7-dimethyl-1,2-dihydronaphthalene;ethane.

Molecular Properties

Compound Name2,7-dimethyl-1,2-dihydronaphthalene;ethane
PubChem CID142943759
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2,7-dimethyl-1,2-dihydronaphthalene;ethane
SMILESCC.Cc1ccc2c(c1)CC(C)C=C2
InChIInChI=1S/C12H14.C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-2/h3-7,10H,8H2,1-2H3;1-2H3
InChIKeyPHMQHPIMPIQKGG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-methyl-1,2-dihydronaphthalene
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(2S)-2-methyl-7-(4,4,4-trifluorobutoxy)-1,2-dihydronaphthalene
CID 155755695
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CID 144614767
3,7-dimethyl-1,2-dihydronaphthalene;ethane;methane
CID 144671945
2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene
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CID 139325985
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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2-dihydronaphthalene;ethane?
The IUPAC name of 2,7-dimethyl-1,2-dihydronaphthalene;ethane (CID 142943759) is 2,7-dimethyl-1,2-dihydronaphthalene;ethane.
What is the SMILES notation for 2,7-dimethyl-1,2-dihydronaphthalene;ethane?
The canonical SMILES for 2,7-dimethyl-1,2-dihydronaphthalene;ethane is CC.Cc1ccc2c(c1)CC(C)C=C2.
What is the InChIKey of 2,7-dimethyl-1,2-dihydronaphthalene;ethane?
The InChIKey is PHMQHPIMPIQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-2/h3-7,10H,8H2,1-2H3;1-2H3.
What are the key properties of 2,7-dimethyl-1,2-dihydronaphthalene;ethane?
2,7-dimethyl-1,2-dihydronaphthalene;ethane has a molecular weight of 188.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2-dihydronaphthalene;ethane is sourced from PubChem (CID 142943759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).