2,2-dichloroundecan-3-ylbenzene

C17H26Cl2 — CID 151571814

IUPAC2,2-dichloroundecan-3-ylbenzene
SMILESCCCCCCCCC(c1ccccc1)C(C)(Cl)Cl
InChIInChI=1S/C17H26Cl2/c1-3-4-5-6-7-11-14-16(17(2,18)19)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3
InChIKeyQEPLZKKNIDWBJQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP6.71
Rot. Bonds9

About 2,2-dichloroundecan-3-ylbenzene

2,2-dichloroundecan-3-ylbenzene (PubChem CID 151571814) has the molecular formula C17H26Cl2 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2,2-dichloroundecan-3-ylbenzene.

Molecular Properties

Compound Name2,2-dichloroundecan-3-ylbenzene
PubChem CID151571814
Molecular FormulaC17H26Cl2
Molecular Weight301.30 g/mol
Exact Mass300.14
IUPAC Name2,2-dichloroundecan-3-ylbenzene
SMILESCCCCCCCCC(c1ccccc1)C(C)(Cl)Cl
InChIInChI=1S/C17H26Cl2/c1-3-4-5-6-7-11-14-16(17(2,18)19)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3
InChIKeyQEPLZKKNIDWBJQ-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.30
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
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CID 87776795
3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
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CID 118389380
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
azanium 2-methyl-3-phenylpentadecane-2-sulfonate
CID 140998618
chloromethane;1-phenyltridecan-1-amine
CID 175245788
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroundecan-3-ylbenzene?
The IUPAC name of 2,2-dichloroundecan-3-ylbenzene (CID 151571814) is 2,2-dichloroundecan-3-ylbenzene.
What is the SMILES notation for 2,2-dichloroundecan-3-ylbenzene?
The canonical SMILES for 2,2-dichloroundecan-3-ylbenzene is CCCCCCCCC(c1ccccc1)C(C)(Cl)Cl.
What is the InChIKey of 2,2-dichloroundecan-3-ylbenzene?
The InChIKey is QEPLZKKNIDWBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2/c1-3-4-5-6-7-11-14-16(17(2,18)19)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3.
What are the key properties of 2,2-dichloroundecan-3-ylbenzene?
2,2-dichloroundecan-3-ylbenzene has a molecular weight of 301.30 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroundecan-3-ylbenzene is sourced from PubChem (CID 151571814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).