(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene

C11H21Cl — CID 14367914

IUPAC(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene
SMILESC/C=C/C(C)C(C)(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-7-8-9(2)10(3,4)11(5,6)12/h7-9H,1-6H3/b8-7+
InChIKeyRRWWXDMZJOKGDP-BQYQJAHWSA-N
MW188.74 g/mol
LogP4.24
Rot. Bonds3

About (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene

(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene (PubChem CID 14367914) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene.

Molecular Properties

Compound Name(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene
PubChem CID14367914
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene
SMILESC/C=C/C(C)C(C)(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-7-8-9(2)10(3,4)11(5,6)12/h7-9H,1-6H3/b8-7+
InChIKeyRRWWXDMZJOKGDP-BQYQJAHWSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.24
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

2,3-dimethylhex-4-en-2-ol
CID 91446389
2,3,4,4,5-pentamethyl-3-propan-2-ylocta-1,6-diene
CID 91434462
4,6,6-trimethylhept-2-ene
CID 91083549
(E,4R)-5-chloro-4-methylpent-2-ene
CID 163801787
(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
CID 159142571
4-methylpent-2-ene
CID 12659
4-ethyl-5,5-dimethylhex-2-ene
CID 91256075
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
trimethyl(1-trimethylsilylbut-2-enyl)silane
CID 54411457
(E)-pent-3-en-2-amine
CID 13149669

Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene?
The IUPAC name of (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene (CID 14367914) is (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene.
What is the SMILES notation for (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene?
The canonical SMILES for (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene is C/C=C/C(C)C(C)(C)C(C)(C)Cl.
What is the InChIKey of (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene?
The InChIKey is RRWWXDMZJOKGDP-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21Cl/c1-7-8-9(2)10(3,4)11(5,6)12/h7-9H,1-6H3/b8-7+.
What are the key properties of (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene?
(E)-6-chloro-4,5,5,6-tetramethylhept-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-4,5,5,6-tetramethylhept-2-ene is sourced from PubChem (CID 14367914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).