5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene

C19H24 — CID 143539268

IUPAC5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene
SMILESC#CC(C)C(C)(CC)c1c(C)ccc2c1C=CCC2
InChIInChI=1S/C19H24/c1-6-15(4)19(5,7-2)18-14(3)12-13-16-10-8-9-11-17(16)18/h1,9,11-13,15H,7-8,10H2,2-5H3
InChIKeyFLQMIGLHEKCROW-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.89
Rot. Bonds3

About 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene

5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene (PubChem CID 143539268) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene
PubChem CID143539268
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene
SMILESC#CC(C)C(C)(CC)c1c(C)ccc2c1C=CCC2
InChIInChI=1S/C19H24/c1-6-15(4)19(5,7-2)18-14(3)12-13-16-10-8-9-11-17(16)18/h1,9,11-13,15H,7-8,10H2,2-5H3
InChIKeyFLQMIGLHEKCROW-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene?
The IUPAC name of 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene (CID 143539268) is 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene is C#CC(C)C(C)(CC)c1c(C)ccc2c1C=CCC2.
What is the InChIKey of 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene?
The InChIKey is FLQMIGLHEKCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-6-15(4)19(5,7-2)18-14(3)12-13-16-10-8-9-11-17(16)18/h1,9,11-13,15H,7-8,10H2,2-5H3.
What are the key properties of 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene?
5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene has a molecular weight of 252.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 143539268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).