(6E)-3-chloro-2,6-dimethylocta-1,6-diene

C10H17Cl — CID 18371098

IUPAC(6E)-3-chloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)C(Cl)CC/C(C)=C/C
InChIInChI=1S/C10H17Cl/c1-5-9(4)6-7-10(11)8(2)3/h5,10H,2,6-7H2,1,3-4H3/b9-5+
InChIKeyOMEOKVZWFNBROT-WEVVVXLNSA-N
MW172.70 g/mol
LogP3.92
Rot. Bonds4

About (6E)-3-chloro-2,6-dimethylocta-1,6-diene

(6E)-3-chloro-2,6-dimethylocta-1,6-diene (PubChem CID 18371098) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (6E)-3-chloro-2,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-3-chloro-2,6-dimethylocta-1,6-diene
PubChem CID18371098
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(6E)-3-chloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)C(Cl)CC/C(C)=C/C
InChIInChI=1S/C10H17Cl/c1-5-9(4)6-7-10(11)8(2)3/h5,10H,2,6-7H2,1,3-4H3/b9-5+
InChIKeyOMEOKVZWFNBROT-WEVVVXLNSA-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

Geranyl chloride
CID 6372219
(E,E)-Farnesyl chloride
CID 6003397
3-Nonene, 9-chloro-, (3Z)-
CID 12795776
3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
5-Dodecene, 12-chloro-, (5Z)-
CID 6450294
Neryl chloride
CID 5874259
(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
1-Chloro-3,7-dimethyl-octa-2,6-diene
CID 99106

Frequently Asked Questions

What is the IUPAC name of (6E)-3-chloro-2,6-dimethylocta-1,6-diene?
The IUPAC name of (6E)-3-chloro-2,6-dimethylocta-1,6-diene (CID 18371098) is (6E)-3-chloro-2,6-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-3-chloro-2,6-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-3-chloro-2,6-dimethylocta-1,6-diene is C=C(C)C(Cl)CC/C(C)=C/C.
What is the InChIKey of (6E)-3-chloro-2,6-dimethylocta-1,6-diene?
The InChIKey is OMEOKVZWFNBROT-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17Cl/c1-5-9(4)6-7-10(11)8(2)3/h5,10H,2,6-7H2,1,3-4H3/b9-5+.
What are the key properties of (6E)-3-chloro-2,6-dimethylocta-1,6-diene?
(6E)-3-chloro-2,6-dimethylocta-1,6-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 (6E)-3-chloro-2,6-dimethylocta-1,6-diene is sourced from PubChem (CID 18371098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).