1-deuterio-3,7-dimethylocta-2,6-diene

C10H18 — CID 175725290

IUPAC1-deuterio-3,7-dimethylocta-2,6-diene
SMILES[2H]CC=C(C)CCC=C(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/i1D
InChIKeyMZPDTOMKQCMETI-MICDWDOJSA-N
MW139.26 g/mol
LogP3.70
Rot. Bonds4

About 1-deuterio-3,7-dimethylocta-2,6-diene

1-deuterio-3,7-dimethylocta-2,6-diene (PubChem CID 175725290) has the molecular formula C10H18 and a molecular weight of 139.26 g/mol. Its IUPAC name is 1-deuterio-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-deuterio-3,7-dimethylocta-2,6-diene
PubChem CID175725290
Molecular FormulaC10H18
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name1-deuterio-3,7-dimethylocta-2,6-diene
SMILES[2H]CC=C(C)CCC=C(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/i1D
InChIKeyMZPDTOMKQCMETI-MICDWDOJSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.70
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

(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-deuterio-3,7-dimethylocta-2,6-diene (CID 175725290) is 1-deuterio-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-deuterio-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-deuterio-3,7-dimethylocta-2,6-diene is [2H]CC=C(C)CCC=C(C)C.
What is the InChIKey of 1-deuterio-3,7-dimethylocta-2,6-diene?
The InChIKey is MZPDTOMKQCMETI-MICDWDOJSA-N. The full InChI is InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/i1D.
What are the key properties of 1-deuterio-3,7-dimethylocta-2,6-diene?
1-deuterio-3,7-dimethylocta-2,6-diene has a molecular weight of 139.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 175725290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).