3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene

C31H50 — CID 159612326

IUPAC3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC(C)C(=C)C.C=CC(=C)CCC=C(C)C.[2H]C(CCC(=C)C=C)C(=C)C
InChIInChI=1S/C11H18.2C10H16/c1-6-10(4)7-8-11(5)9(2)3;2*1-5-10(4)8-6-7-9(2)3/h6,11H,1-2,4,7-8H2,3,5H3;5,7H,1,4,6,8H2,2-3H3;5H,1-2,4,6-8H2,3H3/i;;7D
InChIKeyMMVVVHOOKYYPCV-VLRLUKQHSA-N
MW423.75 g/mol
LogP10.67
Rot. Bonds14

About 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene

3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene (PubChem CID 159612326) has the molecular formula C31H50 and a molecular weight of 423.75 g/mol. Its IUPAC name is 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene
PubChem CID159612326
Molecular FormulaC31H50
Molecular Weight423.75 g/mol
Exact Mass423.40
IUPAC Name3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC(C)C(=C)C.C=CC(=C)CCC=C(C)C.[2H]C(CCC(=C)C=C)C(=C)C
InChIInChI=1S/C11H18.2C10H16/c1-6-10(4)7-8-11(5)9(2)3;2*1-5-10(4)8-6-7-9(2)3/h6,11H,1-2,4,7-8H2,3,5H3;5,7H,1,4,6,8H2,2-3H3;5H,1-2,4,6-8H2,3H3/i;;7D
InChIKeyMMVVVHOOKYYPCV-VLRLUKQHSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.75
LogP ≤ 510.67
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

7-methyl-3-methylideneocta-1,6-diene
CID 173118544
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
10-methyl-3-methylideneundec-1-ene
CID 144855567
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-methyl-6-methylideneoct-7-en-3-ol
CID 167376520
2,3,8-trimethylnona-1,8-diene
CID 155711646
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene (CID 159612326) is 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene is C=CC(=C)CCC(C)C(=C)C.C=CC(=C)CCC=C(C)C.[2H]C(CCC(=C)C=C)C(=C)C.
What is the InChIKey of 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is MMVVVHOOKYYPCV-VLRLUKQHSA-N. The full InChI is InChI=1S/C11H18.2C10H16/c1-6-10(4)7-8-11(5)9(2)3;2*1-5-10(4)8-6-7-9(2)3/h6,11H,1-2,4,7-8H2,3,5H3;5,7H,1,4,6,8H2,2-3H3;5H,1-2,4,6-8H2,3H3/i;;7D.
What are the key properties of 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene?
3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 423.75 g/mol, XLogP of 10.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2-methyl-6-methylideneocta-1,7-diene;2,3-dimethyl-6-methylideneocta-1,7-diene;7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 159612326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).