1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene

C22H36 — CID 142140914

IUPAC1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC(C)(CCCCC)C1CCCc2ccccc21
InChIInChI=1S/C22H36/c1-4-6-10-17-22(3,18-11-7-5-2)21-16-12-14-19-13-8-9-15-20(19)21/h8-9,13,15,21H,4-7,10-12,14,16-18H2,1-3H3
InChIKeyOKDBVZFLFUJZBR-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.27
Rot. Bonds9

About 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene

1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 142140914) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID142140914
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC(C)(CCCCC)C1CCCc2ccccc21
InChIInChI=1S/C22H36/c1-4-6-10-17-22(3,18-11-7-5-2)21-16-12-14-19-13-8-9-15-20(19)21/h8-9,13,15,21H,4-7,10-12,14,16-18H2,1-3H3
InChIKeyOKDBVZFLFUJZBR-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.27
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

2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 79307919
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167617330
ethyl 2,2-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 71078532
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene (CID 142140914) is 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene is CCCCCC(C)(CCCCC)C1CCCc2ccccc21.
What is the InChIKey of 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OKDBVZFLFUJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-4-6-10-17-22(3,18-11-7-5-2)21-16-12-14-19-13-8-9-15-20(19)21/h8-9,13,15,21H,4-7,10-12,14,16-18H2,1-3H3.
What are the key properties of 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene?
1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 300.53 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142140914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).