6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane

C15H23Cl — CID 142273964

IUPAC6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
SMILESCC.CC1CCC(C)(C)c2cc(Cl)ccc21
InChIInChI=1S/C13H17Cl.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3
InChIKeyZHZOVGZDGHLUFE-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.54
Rot. Bonds

About 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane

6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane (PubChem CID 142273964) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane.

Molecular Properties

Compound Name6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
PubChem CID142273964
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
SMILESCC.CC1CCC(C)(C)c2cc(Cl)ccc21
InChIInChI=1S/C13H17Cl.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3
InChIKeyZHZOVGZDGHLUFE-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane?
The IUPAC name of 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane (CID 142273964) is 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane.
What is the SMILES notation for 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane?
The canonical SMILES for 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane is CC.CC1CCC(C)(C)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane?
The InChIKey is ZHZOVGZDGHLUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3.
What are the key properties of 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane?
6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane has a molecular weight of 238.80 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane is sourced from PubChem (CID 142273964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).