2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene

C22H30 — CID 143617235

IUPAC2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene
SMILESCC1=Cc2ccccc2CC1CC1C=CC(C(C)(C)C)CC1
InChIInChI=1S/C22H30/c1-16-13-18-7-5-6-8-19(18)15-20(16)14-17-9-11-21(12-10-17)22(2,3)4/h5-9,11,13,17,20-21H,10,12,14-15H2,1-4H3
InChIKeyCUBKOLUUHKXRFA-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.28
Rot. Bonds2

About 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene

2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene (PubChem CID 143617235) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene
PubChem CID143617235
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene
SMILESCC1=Cc2ccccc2CC1CC1C=CC(C(C)(C)C)CC1
InChIInChI=1S/C22H30/c1-16-13-18-7-5-6-8-19(18)15-20(16)14-17-9-11-21(12-10-17)22(2,3)4/h5-9,11,13,17,20-21H,10,12,14-15H2,1-4H3
InChIKeyCUBKOLUUHKXRFA-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1,2-dihydronaphthalene
CID 121008714
3-methyl-4a,10-dihydroanthracene
CID 58426249
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CID 91296033
ditert-butyl(1H-inden-2-yl)phosphane
CID 21095963
ethane;2-methyl-1H-indene
CID 54388135
2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 159665212
bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)
CID 158203588
2-tert-butyl-1H-indene;zirconium
CID 159357994
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60816005
2-methyl-1-[2-(2-methyl-3H-inden-1-yl)ethyl]-1H-indene
CID 54474660
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
CID 173041017
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
CID 173041009

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene?
The IUPAC name of 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene (CID 143617235) is 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene is CC1=Cc2ccccc2CC1CC1C=CC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene?
The InChIKey is CUBKOLUUHKXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-16-13-18-7-5-6-8-19(18)15-20(16)14-17-9-11-21(12-10-17)22(2,3)4/h5-9,11,13,17,20-21H,10,12,14-15H2,1-4H3.
What are the key properties of 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene?
2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene has a molecular weight of 294.48 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohex-2-en-1-yl)methyl]-3-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 143617235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).