6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C20H32 — CID 23002530

IUPAC6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCCCCCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H32/c1-6-7-8-9-10-16-11-12-17-18(15-16)20(4,5)14-13-19(17,2)3/h11-12,15H,6-10,13-14H2,1-5H3
InChIKeyUQVKXTZXZXYDGA-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.16
Rot. Bonds5

About 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 23002530) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID23002530
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCCCCCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H32/c1-6-7-8-9-10-16-11-12-17-18(15-16)20(4,5)14-13-19(17,2)3/h11-12,15H,6-10,13-14H2,1-5H3
InChIKeyUQVKXTZXZXYDGA-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octadec-9-enoic acid
CID 176888341
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 22456869
5-butyl-1-(3-butylphenyl)-1,3,3-trimethyl-2H-indene
CID 139620883
1,3-di(tetradecyl)benzene
CID 91053224
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
1-butyl-4-nonylbenzene
CID 59545302
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
CID 116525818
(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal
CID 173323218
1,2-dimethyl-4-octylbenzene
CID 14044616

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 23002530) is 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CCCCCCc1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is UQVKXTZXZXYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-6-7-8-9-10-16-11-12-17-18(15-16)20(4,5)14-13-19(17,2)3/h11-12,15H,6-10,13-14H2,1-5H3.
What are the key properties of 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 272.48 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 23002530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).