2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane

C18H34 — CID 145046662

IUPAC2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC.CC.Cc1ccc2c(c1)CC(C)CC2
InChIInChI=1S/C12H16.3C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;3*1-2/h3,5,7,10H,4,6,8H2,1-2H3;3*1-2H3
InChIKeyISVHMSHMTYXKHR-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.20
Rot. Bonds

About 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane

2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane (PubChem CID 145046662) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
PubChem CID145046662
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC.CC.Cc1ccc2c(c1)CC(C)CC2
InChIInChI=1S/C12H16.3C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;3*1-2/h3,5,7,10H,4,6,8H2,1-2H3;3*1-2H3
InChIKeyISVHMSHMTYXKHR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane?
The IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane (CID 145046662) is 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane?
The canonical SMILES for 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane is CC.CC.CC.Cc1ccc2c(c1)CC(C)CC2.
What is the InChIKey of 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane?
The InChIKey is ISVHMSHMTYXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.3C2H6/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;3*1-2/h3,5,7,10H,4,6,8H2,1-2H3;3*1-2H3.
What are the key properties of 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane?
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane has a molecular weight of 250.47 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane is sourced from PubChem (CID 145046662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).