5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene

C14H22 — CID 90761066

IUPAC5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene
SMILESCC1=CC2=C(CCCC2)C(C)(C)C1C
InChIInChI=1S/C14H22/c1-10-9-12-7-5-6-8-13(12)14(3,4)11(10)2/h9,11H,5-8H2,1-4H3
InChIKeyBNBNWUFBJSODRS-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds

About 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene

5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene (PubChem CID 90761066) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene
PubChem CID90761066
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene
SMILESCC1=CC2=C(CCCC2)C(C)(C)C1C
InChIInChI=1S/C14H22/c1-10-9-12-7-5-6-8-13(12)14(3,4)11(10)2/h9,11H,5-8H2,1-4H3
InChIKeyBNBNWUFBJSODRS-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene?
The IUPAC name of 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene (CID 90761066) is 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene.
What is the SMILES notation for 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene?
The canonical SMILES for 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene is CC1=CC2=C(CCCC2)C(C)(C)C1C.
What is the InChIKey of 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene?
The InChIKey is BNBNWUFBJSODRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10-9-12-7-5-6-8-13(12)14(3,4)11(10)2/h9,11H,5-8H2,1-4H3.
What are the key properties of 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene?
5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene is sourced from PubChem (CID 90761066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).