(2-chloro-2-nonyldodecyl)benzene

C27H47Cl — CID 142488701

IUPAC(2-chloro-2-nonyldodecyl)benzene
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C27H47Cl/c1-3-5-7-9-11-13-15-20-24-27(28,25-26-21-17-16-18-22-26)23-19-14-12-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3
InChIKeyMNMHZBRMRIZIFT-UHFFFAOYSA-N
MW407.13 g/mol
LogP9.88
Rot. Bonds19

About (2-chloro-2-nonyldodecyl)benzene

(2-chloro-2-nonyldodecyl)benzene (PubChem CID 142488701) has the molecular formula C27H47Cl and a molecular weight of 407.13 g/mol. Its IUPAC name is (2-chloro-2-nonyldodecyl)benzene.

Molecular Properties

Compound Name(2-chloro-2-nonyldodecyl)benzene
PubChem CID142488701
Molecular FormulaC27H47Cl
Molecular Weight407.13 g/mol
Exact Mass406.34
IUPAC Name(2-chloro-2-nonyldodecyl)benzene
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C27H47Cl/c1-3-5-7-9-11-13-15-20-24-27(28,25-26-21-17-16-18-22-26)23-19-14-12-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3
InChIKeyMNMHZBRMRIZIFT-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.13
LogP ≤ 59.88
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

2,2-diethylundecylbenzene
CID 151975771
8-benzylpentadecan-8-ol
CID 13016086
[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
2,2-dibenzyltetradecanoic acid
CID 174897332
3-benzyl-3-decyltridecan-2-one
CID 21201320
N-(1,1-dichloro-2-phenylethyl)dodecan-1-amine;hydrochloride
CID 173441859
2,2-bis(phenylselanyl)dodecylbenzene
CID 134930087
11-chloro-11-decylpentacosane
CID 19690403
11-chloro-11-nonylhenicosane
CID 154304707
7-chloro-7-hexylheptadecane
CID 141000501
1,2-diphenylheptan-2-ol
CID 139785734
2-benzyl-2-pentylpropanedioic acid
CID 141045476

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-nonyldodecyl)benzene?
The IUPAC name of (2-chloro-2-nonyldodecyl)benzene (CID 142488701) is (2-chloro-2-nonyldodecyl)benzene.
What is the SMILES notation for (2-chloro-2-nonyldodecyl)benzene?
The canonical SMILES for (2-chloro-2-nonyldodecyl)benzene is CCCCCCCCCCC(Cl)(CCCCCCCCC)Cc1ccccc1.
What is the InChIKey of (2-chloro-2-nonyldodecyl)benzene?
The InChIKey is MNMHZBRMRIZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47Cl/c1-3-5-7-9-11-13-15-20-24-27(28,25-26-21-17-16-18-22-26)23-19-14-12-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3.
What are the key properties of (2-chloro-2-nonyldodecyl)benzene?
(2-chloro-2-nonyldodecyl)benzene has a molecular weight of 407.13 g/mol, XLogP of 9.88, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-nonyldodecyl)benzene is sourced from PubChem (CID 142488701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).