3-chloro-3,4-dimethyldodec-1-ene

C14H27Cl — CID 150187034

IUPAC3-chloro-3,4-dimethyldodec-1-ene
SMILESC=CC(C)(Cl)C(C)CCCCCCCC
InChIInChI=1S/C14H27Cl/c1-5-7-8-9-10-11-12-13(3)14(4,15)6-2/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyFMQJPSUCUJGTSW-UHFFFAOYSA-N
MW230.82 g/mol
LogP5.56
Rot. Bonds9

About 3-chloro-3,4-dimethyldodec-1-ene

3-chloro-3,4-dimethyldodec-1-ene (PubChem CID 150187034) has the molecular formula C14H27Cl and a molecular weight of 230.82 g/mol. Its IUPAC name is 3-chloro-3,4-dimethyldodec-1-ene.

Molecular Properties

Compound Name3-chloro-3,4-dimethyldodec-1-ene
PubChem CID150187034
Molecular FormulaC14H27Cl
Molecular Weight230.82 g/mol
Exact Mass230.18
IUPAC Name3-chloro-3,4-dimethyldodec-1-ene
SMILESC=CC(C)(Cl)C(C)CCCCCCCC
InChIInChI=1S/C14H27Cl/c1-5-7-8-9-10-11-12-13(3)14(4,15)6-2/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyFMQJPSUCUJGTSW-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.82
LogP ≤ 55.56
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

2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
3-ethenyl-3,4,4,5-tetramethyldodec-1-ene
CID 151006143
4-chloro-4,5-dimethyltridecane
CID 152641357
2,2,3-trimethylundecane
CID 21285055
3,4-dichloro-3-ethenyldodec-1-ene
CID 150880814
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
3-methylheptadecane-2,2-diamine
CID 141040528
2,3,3,4-tetramethylnonadecane
CID 174953704
2,3-dimethylhexadecan-2-amine
CID 87479269
2-iodo-2,3-dimethylnonane
CID 157257011

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,4-dimethyldodec-1-ene?
The IUPAC name of 3-chloro-3,4-dimethyldodec-1-ene (CID 150187034) is 3-chloro-3,4-dimethyldodec-1-ene.
What is the SMILES notation for 3-chloro-3,4-dimethyldodec-1-ene?
The canonical SMILES for 3-chloro-3,4-dimethyldodec-1-ene is C=CC(C)(Cl)C(C)CCCCCCCC.
What is the InChIKey of 3-chloro-3,4-dimethyldodec-1-ene?
The InChIKey is FMQJPSUCUJGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl/c1-5-7-8-9-10-11-12-13(3)14(4,15)6-2/h6,13H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3-chloro-3,4-dimethyldodec-1-ene?
3-chloro-3,4-dimethyldodec-1-ene has a molecular weight of 230.82 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,4-dimethyldodec-1-ene is sourced from PubChem (CID 150187034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).