(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene

C12H23Cl — CID 5462856

IUPAC(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
SMILESCC(C)(C)CC(C)(C)C/C=C/CCl
InChIInChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3/b7-6+
InChIKeyDVOYYVNTAWFQAV-VOTSOKGWSA-N
MW202.77 g/mol
LogP4.63
Rot. Bonds4

About (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene

(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene (PubChem CID 5462856) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
PubChem CID5462856
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
SMILESCC(C)(C)CC(C)(C)C/C=C/CCl
InChIInChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3/b7-6+
InChIKeyDVOYYVNTAWFQAV-VOTSOKGWSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-5,5,7,7-tetramethyl-2-octene
CID 135970
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
CID 85438194
CID 85438194
5-(Chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene
CID 54334840
1-Chloro-5,5-dimethyl-2-hexene
CID 12328796
(5E)-7-chloro-3,3,5-trimethylhepta-1,5-diene
CID 14550400
3-(2-Chloroethylidene)-1,1-dimethylcyclohexane
CID 72438036
(Z)-1-chloro-7-methyloct-2-ene
CID 10931737
1-Vinyl-1-methyl-3-chloromethylcyclohex-3-ene
CID 14587288
1-Chloro-5-ethyl-5-methyl-2-heptene
CID 129658568
1-Chloro-5,5-diethyl-2-heptene
CID 129658661
t-Pentylallyl chloride
CID 129728176

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene?
The IUPAC name of (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene (CID 5462856) is (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene.
What is the SMILES notation for (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene?
The canonical SMILES for (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene is CC(C)(C)CC(C)(C)C/C=C/CCl.
What is the InChIKey of (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene?
The InChIKey is DVOYYVNTAWFQAV-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3/b7-6+.
What are the key properties of (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene?
(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene has a molecular weight of 202.77 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene is sourced from PubChem (CID 5462856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).