(6E)-2,5-dimethylocta-1,6-diene

C10H18 — CID 5362878

IUPAC(6E)-2,5-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-6-10(4)8-7-9(2)3/h5-6,10H,2,7-8H2,1,3-4H3/b6-5+
InChIKeyFBNUSKGBPHDTRX-AATRIKPKSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds4

About (6E)-2,5-dimethylocta-1,6-diene

(6E)-2,5-dimethylocta-1,6-diene (PubChem CID 5362878) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (6E)-2,5-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-2,5-dimethylocta-1,6-diene
PubChem CID5362878
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(6E)-2,5-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-6-10(4)8-7-9(2)3/h5-6,10H,2,7-8H2,1,3-4H3/b6-5+
InChIKeyFBNUSKGBPHDTRX-AATRIKPKSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Gamma-Terpinene
CID 7461
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
6-Methyl-1-heptene
CID 21122
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985
3-Methyl-1-heptene
CID 20946
2,3-Dimethyl-1,4-hexadiene
CID 5368910
Isoterpinolene
CID 102443

Frequently Asked Questions

What is the IUPAC name of (6E)-2,5-dimethylocta-1,6-diene?
The IUPAC name of (6E)-2,5-dimethylocta-1,6-diene (CID 5362878) is (6E)-2,5-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-2,5-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-2,5-dimethylocta-1,6-diene is C=C(C)CCC(C)/C=C/C.
What is the InChIKey of (6E)-2,5-dimethylocta-1,6-diene?
The InChIKey is FBNUSKGBPHDTRX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18/c1-5-6-10(4)8-7-9(2)3/h5-6,10H,2,7-8H2,1,3-4H3/b6-5+.
What are the key properties of (6E)-2,5-dimethylocta-1,6-diene?
(6E)-2,5-dimethylocta-1,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,5-dimethylocta-1,6-diene is sourced from PubChem (CID 5362878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).