2-chloro-2-methylundecane;ethene

C14H29Cl — CID 158323150

IUPAC2-chloro-2-methylundecane;ethene
SMILESC=C.CCCCCCCCCC(C)(C)Cl
InChIInChI=1S/C12H25Cl.C2H4/c1-4-5-6-7-8-9-10-11-12(2,3)13;1-2/h4-11H2,1-3H3;1-2H2
InChIKeyGPCBBFFCKJPEHF-UHFFFAOYSA-N
MW232.84 g/mol
LogP5.95
Rot. Bonds8

About 2-chloro-2-methylundecane;ethene

2-chloro-2-methylundecane;ethene (PubChem CID 158323150) has the molecular formula C14H29Cl and a molecular weight of 232.84 g/mol. Its IUPAC name is 2-chloro-2-methylundecane;ethene.

Molecular Properties

Compound Name2-chloro-2-methylundecane;ethene
PubChem CID158323150
Molecular FormulaC14H29Cl
Molecular Weight232.84 g/mol
Exact Mass232.20
IUPAC Name2-chloro-2-methylundecane;ethene
SMILESC=C.CCCCCCCCCC(C)(C)Cl
InChIInChI=1S/C12H25Cl.C2H4/c1-4-5-6-7-8-9-10-11-12(2,3)13;1-2/h4-11H2,1-3H3;1-2H2
InChIKeyGPCBBFFCKJPEHF-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.84
LogP ≤ 55.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 19869804
azane;2-chloro-2-methyltridecane
CID 87093642
9-(3-chloro-3-methylbutyl)heptadecan-9-amine
CID 22138206
2-chloro-2-methylhexane;cyclobutane
CID 175373010
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
11-chloro-11-nonylhenicosane
CID 154304707
3-chloro-3-methyloctadecane
CID 158282272
2,6-dichloro-2,6-dimethyldecane
CID 139809322
ethene;undecane
CID 161157037
5,5-dichlorododecane
CID 90767172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylundecane;ethene?
The IUPAC name of 2-chloro-2-methylundecane;ethene (CID 158323150) is 2-chloro-2-methylundecane;ethene.
What is the SMILES notation for 2-chloro-2-methylundecane;ethene?
The canonical SMILES for 2-chloro-2-methylundecane;ethene is C=C.CCCCCCCCCC(C)(C)Cl.
What is the InChIKey of 2-chloro-2-methylundecane;ethene?
The InChIKey is GPCBBFFCKJPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl.C2H4/c1-4-5-6-7-8-9-10-11-12(2,3)13;1-2/h4-11H2,1-3H3;1-2H2.
What are the key properties of 2-chloro-2-methylundecane;ethene?
2-chloro-2-methylundecane;ethene has a molecular weight of 232.84 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylundecane;ethene is sourced from PubChem (CID 158323150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).