1-(chloromethyl)-2-decylbenzene

C17H27Cl — CID 14385709

IUPAC1-(chloromethyl)-2-decylbenzene
SMILESCCCCCCCCCCc1ccccc1CCl
InChIInChI=1S/C17H27Cl/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15-18/h10-11,13-14H,2-9,12,15H2,1H3
InChIKeyDORPURCKUDILAY-UHFFFAOYSA-N
MW266.86 g/mol
LogP6.11
Rot. Bonds10

About 1-(chloromethyl)-2-decylbenzene

1-(chloromethyl)-2-decylbenzene (PubChem CID 14385709) has the molecular formula C17H27Cl and a molecular weight of 266.86 g/mol. Its IUPAC name is 1-(chloromethyl)-2-decylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-decylbenzene
PubChem CID14385709
Molecular FormulaC17H27Cl
Molecular Weight266.86 g/mol
Exact Mass266.18
IUPAC Name1-(chloromethyl)-2-decylbenzene
SMILESCCCCCCCCCCc1ccccc1CCl
InChIInChI=1S/C17H27Cl/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15-18/h10-11,13-14H,2-9,12,15H2,1H3
InChIKeyDORPURCKUDILAY-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.86
LogP ≤ 56.11
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

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372
1,2-didecylbenzene;phosphonous acid
CID 70526437
carbonic acid;1,2-dihexylbenzene
CID 174444225
(2-heptylphenyl)methanamine
CID 57355618
1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene
CID 67292261

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-decylbenzene?
The IUPAC name of 1-(chloromethyl)-2-decylbenzene (CID 14385709) is 1-(chloromethyl)-2-decylbenzene.
What is the SMILES notation for 1-(chloromethyl)-2-decylbenzene?
The canonical SMILES for 1-(chloromethyl)-2-decylbenzene is CCCCCCCCCCc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-decylbenzene?
The InChIKey is DORPURCKUDILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15-18/h10-11,13-14H,2-9,12,15H2,1H3.
What are the key properties of 1-(chloromethyl)-2-decylbenzene?
1-(chloromethyl)-2-decylbenzene has a molecular weight of 266.86 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-decylbenzene is sourced from PubChem (CID 14385709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).