propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene

C17H28 — CID 143829335

IUPACpropane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC.Cc1ccc2c(c1)C(C)C(C)CC2C
InChIInChI=1S/C14H20.C3H8/c1-9-5-6-13-11(3)8-10(2)12(4)14(13)7-9;1-3-2/h5-7,10-12H,8H2,1-4H3;3H2,1-2H3
InChIKeyMWRIANBJTCVKAF-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.66
Rot. Bonds

About propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene

propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 143829335) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namepropane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID143829335
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Namepropane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC.Cc1ccc2c(c1)C(C)C(C)CC2C
InChIInChI=1S/C14H20.C3H8/c1-9-5-6-13-11(3)8-10(2)12(4)14(13)7-9;1-3-2/h5-7,10-12H,8H2,1-4H3;3H2,1-2H3
InChIKeyMWRIANBJTCVKAF-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,6,9,10-tetramethyl-9,10-dihydroanthracene
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(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
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3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine
CID 139770808
2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
CID 57386974
2,4-dimethyl-1-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 142882854
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 6429077
(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 24806500
5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol
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Frequently Asked Questions

What is the IUPAC name of propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene (CID 143829335) is propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene is CCC.Cc1ccc2c(c1)C(C)C(C)CC2C.
What is the InChIKey of propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MWRIANBJTCVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C3H8/c1-9-5-6-13-11(3)8-10(2)12(4)14(13)7-9;1-3-2/h5-7,10-12H,8H2,1-4H3;3H2,1-2H3.
What are the key properties of propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene?
propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 232.41 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143829335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).