1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene

C20H31Cl — CID 101152697

IUPAC1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene
SMILESC=C(C)C(C)(CCCCCCCC)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H31Cl/c1-5-6-7-8-9-10-15-20(4,17(2)3)16-18-11-13-19(21)14-12-18/h11-14H,2,5-10,15-16H2,1,3-4H3
InChIKeyMSFCAQGPAOBATE-UHFFFAOYSA-N
MW306.92 g/mol
LogP7.22
Rot. Bonds10

About 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene

1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene (PubChem CID 101152697) has the molecular formula C20H31Cl and a molecular weight of 306.92 g/mol. Its IUPAC name is 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene
PubChem CID101152697
Molecular FormulaC20H31Cl
Molecular Weight306.92 g/mol
Exact Mass306.21
IUPAC Name1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene
SMILESC=C(C)C(C)(CCCCCCCC)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H31Cl/c1-5-6-7-8-9-10-15-20(4,17(2)3)16-18-11-13-19(21)14-12-18/h11-14H,2,5-10,15-16H2,1,3-4H3
InChIKeyMSFCAQGPAOBATE-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.92
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene?
The IUPAC name of 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene (CID 101152697) is 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene?
The canonical SMILES for 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene is C=C(C)C(C)(CCCCCCCC)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene?
The InChIKey is MSFCAQGPAOBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Cl/c1-5-6-7-8-9-10-15-20(4,17(2)3)16-18-11-13-19(21)14-12-18/h11-14H,2,5-10,15-16H2,1,3-4H3.
What are the key properties of 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene?
1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene has a molecular weight of 306.92 g/mol, XLogP of 7.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene is sourced from PubChem (CID 101152697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).