(3Z)-2,5-dimethylocta-1,3,6-triene

C10H16 — CID 144587604

IUPAC(3Z)-2,5-dimethylocta-1,3,6-triene
SMILESC=C(C)/C=C\C(C)C=CC
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8,10H,2H2,1,3-4H3/b6-5?,8-7-
InChIKeyRKBDLWMUVRMUFI-DTYAYTLWSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds3

About (3Z)-2,5-dimethylocta-1,3,6-triene

(3Z)-2,5-dimethylocta-1,3,6-triene (PubChem CID 144587604) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3Z)-2,5-dimethylocta-1,3,6-triene.

Molecular Properties

Compound Name(3Z)-2,5-dimethylocta-1,3,6-triene
PubChem CID144587604
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3Z)-2,5-dimethylocta-1,3,6-triene
SMILESC=C(C)/C=C\C(C)C=CC
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8,10H,2H2,1,3-4H3/b6-5?,8-7-
InChIKeyRKBDLWMUVRMUFI-DTYAYTLWSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(2Z,5E)-4-methylhepta-2,5-dien-2-ol
CID 158634176
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
2-methylhepta-1,3,5-triene
CID 54571604
3,6-dimethylocta-1,4,6-triene
CID 90763944
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,5-dimethylocta-1,3,6-triene?
The IUPAC name of (3Z)-2,5-dimethylocta-1,3,6-triene (CID 144587604) is (3Z)-2,5-dimethylocta-1,3,6-triene.
What is the SMILES notation for (3Z)-2,5-dimethylocta-1,3,6-triene?
The canonical SMILES for (3Z)-2,5-dimethylocta-1,3,6-triene is C=C(C)/C=C\C(C)C=CC.
What is the InChIKey of (3Z)-2,5-dimethylocta-1,3,6-triene?
The InChIKey is RKBDLWMUVRMUFI-DTYAYTLWSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8,10H,2H2,1,3-4H3/b6-5?,8-7-.
What are the key properties of (3Z)-2,5-dimethylocta-1,3,6-triene?
(3Z)-2,5-dimethylocta-1,3,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5-dimethylocta-1,3,6-triene is sourced from PubChem (CID 144587604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).