1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene

C17H25Cl — CID 64508890

IUPAC1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(Cl)CCCC1CCCc2ccccc21
InChIInChI=1S/C17H25Cl/c1-13(2)17(18)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15/h3-4,7,11,13,15,17H,5-6,8-10,12H2,1-2H3
InChIKeyGNQMQACEPQZLPR-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.54
Rot. Bonds5

About 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene

1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 64508890) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID64508890
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(Cl)CCCC1CCCc2ccccc21
InChIInChI=1S/C17H25Cl/c1-13(2)17(18)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15/h3-4,7,11,13,15,17H,5-6,8-10,12H2,1-2H3
InChIKeyGNQMQACEPQZLPR-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
CID 142978184
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene (CID 64508890) is 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene is CC(C)C(Cl)CCCC1CCCc2ccccc21.
What is the InChIKey of 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GNQMQACEPQZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-13(2)17(18)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15/h3-4,7,11,13,15,17H,5-6,8-10,12H2,1-2H3.
What are the key properties of 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene?
1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 264.84 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 64508890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).