(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene

C10H17Cl — CID 13409854

IUPAC(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
SMILESC/C=C(\C)CC/C=C(\C)CCl
InChIInChI=1S/C10H17Cl/c1-4-9(2)6-5-7-10(3)8-11/h4,7H,5-6,8H2,1-3H3/b9-4+,10-7+
InChIKeyQAVFZSUCRCSZDM-SXFWLWNESA-N
MW172.70 g/mol
LogP3.92
Rot. Bonds4

About (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene

(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene (PubChem CID 13409854) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
PubChem CID13409854
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
SMILESC/C=C(\C)CC/C=C(\C)CCl
InChIInChI=1S/C10H17Cl/c1-4-9(2)6-5-7-10(3)8-11/h4,7H,5-6,8H2,1-3H3/b9-4+,10-7+
InChIKeyQAVFZSUCRCSZDM-SXFWLWNESA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.92
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

11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
[(2E,6E)-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 10878979
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(2Z,6E,10E,14E,18Z)-2,18-dichloro-6,10,14-trimethylicosa-2,6,10,14,18-pentaene
CID 165392266
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol
CID 10064869

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene?
The IUPAC name of (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene (CID 13409854) is (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene.
What is the SMILES notation for (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene?
The canonical SMILES for (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene is C/C=C(\C)CC/C=C(\C)CCl.
What is the InChIKey of (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene?
The InChIKey is QAVFZSUCRCSZDM-SXFWLWNESA-N. The full InChI is InChI=1S/C10H17Cl/c1-4-9(2)6-5-7-10(3)8-11/h4,7H,5-6,8H2,1-3H3/b9-4+,10-7+.
What are the key properties of (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene?
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene has a molecular weight of 172.70 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene is sourced from PubChem (CID 13409854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).