(E)-6,7-dichloro-3,7-dimethyloct-2-ene

C10H18Cl2 — CID 22151192

IUPAC(E)-6,7-dichloro-3,7-dimethyloct-2-ene
SMILESC/C=C(\C)CCC(Cl)C(C)(C)Cl
InChIInChI=1S/C10H18Cl2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyIJNDECRYBVZCMJ-VMPITWQZSA-N
MW209.16 g/mol
LogP4.36
Rot. Bonds4

About (E)-6,7-dichloro-3,7-dimethyloct-2-ene

(E)-6,7-dichloro-3,7-dimethyloct-2-ene (PubChem CID 22151192) has the molecular formula C10H18Cl2 and a molecular weight of 209.16 g/mol. Its IUPAC name is (E)-6,7-dichloro-3,7-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-6,7-dichloro-3,7-dimethyloct-2-ene
PubChem CID22151192
Molecular FormulaC10H18Cl2
Molecular Weight209.16 g/mol
Exact Mass208.08
IUPAC Name(E)-6,7-dichloro-3,7-dimethyloct-2-ene
SMILESC/C=C(\C)CCC(Cl)C(C)(C)Cl
InChIInChI=1S/C10H18Cl2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyIJNDECRYBVZCMJ-VMPITWQZSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 54.36
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

(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
3,6,7-trimethylnon-2-ene
CID 123488713
(E)-2,5-dimethylhept-5-en-2-ol
CID 10931542
(Z)-3-methylpent-3-en-1-ol
CID 12576400
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
7-chloro-3,7-dimethylocta-2,5-diene
CID 71389949
(E)-7-methylnon-7-en-2-ol
CID 87112296
(4S)-4-chloro-5,5-dimethylhexanoyl chloride
CID 34181516
7-methylnon-7-en-2-ol
CID 123441222
2-chloro-2-methylhexan-3-ol
CID 130124789
(E)-6,6,6-trifluoro-3-methylhex-2-ene
CID 153363460
2-chloro-5-methylhepta-1,5-diene
CID 123504902

Frequently Asked Questions

What is the IUPAC name of (E)-6,7-dichloro-3,7-dimethyloct-2-ene?
The IUPAC name of (E)-6,7-dichloro-3,7-dimethyloct-2-ene (CID 22151192) is (E)-6,7-dichloro-3,7-dimethyloct-2-ene.
What is the SMILES notation for (E)-6,7-dichloro-3,7-dimethyloct-2-ene?
The canonical SMILES for (E)-6,7-dichloro-3,7-dimethyloct-2-ene is C/C=C(\C)CCC(Cl)C(C)(C)Cl.
What is the InChIKey of (E)-6,7-dichloro-3,7-dimethyloct-2-ene?
The InChIKey is IJNDECRYBVZCMJ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18Cl2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-6,7-dichloro-3,7-dimethyloct-2-ene?
(E)-6,7-dichloro-3,7-dimethyloct-2-ene has a molecular weight of 209.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,7-dichloro-3,7-dimethyloct-2-ene is sourced from PubChem (CID 22151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).