(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene

C26H37Cl — CID 151313012

IUPAC(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene
SMILESCC(C)(C)C(CCCCCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37Cl/c1-25(2,3)26(23-17-11-9-12-18-23,24-19-13-10-14-20-24)21-15-7-5-4-6-8-16-22-27/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3
InChIKeyOEVCTASYIPGLFQ-UHFFFAOYSA-N
MW385.04 g/mol
LogP8.38
Rot. Bonds11

About (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene

(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene (PubChem CID 151313012) has the molecular formula C26H37Cl and a molecular weight of 385.04 g/mol. Its IUPAC name is (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene.

Molecular Properties

Compound Name(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene
PubChem CID151313012
Molecular FormulaC26H37Cl
Molecular Weight385.04 g/mol
Exact Mass384.26
IUPAC Name(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene
SMILESCC(C)(C)C(CCCCCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37Cl/c1-25(2,3)26(23-17-11-9-12-18-23,24-19-13-10-14-20-24)21-15-7-5-4-6-8-16-22-27/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3
InChIKeyOEVCTASYIPGLFQ-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.04
LogP ≤ 58.38
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

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CID 21418823
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1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene
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2,4-dichlorobutan-2-ylbenzene
CID 91712568
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
[(3S)-9-chloro-3-ethenyl-3-methylnonyl]benzene
CID 102357925
1-chloro-8,8-diethyldecane
CID 141051096
(7-chloro-1,1-difluoroheptyl)sulfonylbenzene
CID 163297693
(1-chloro-2-phenylundecan-2-yl)benzene
CID 152536169
(Z)-2,16-dimethyl-2,16-diphenylheptadec-8-enedioic acid
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2-(3-chloropropylsulfanyl)-2-phenylpropanenitrile
CID 134907577

Frequently Asked Questions

What is the IUPAC name of (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene?
The IUPAC name of (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene (CID 151313012) is (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene.
What is the SMILES notation for (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene?
The canonical SMILES for (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene is CC(C)(C)C(CCCCCCCCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene?
The InChIKey is OEVCTASYIPGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37Cl/c1-25(2,3)26(23-17-11-9-12-18-23,24-19-13-10-14-20-24)21-15-7-5-4-6-8-16-22-27/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3.
What are the key properties of (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene?
(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene has a molecular weight of 385.04 g/mol, XLogP of 8.38, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene is sourced from PubChem (CID 151313012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).