2-methyl-6-methylideneocta-2,7-dienal

C10H14O — CID 57156590

IUPAC2-methyl-6-methylideneocta-2,7-dienal
SMILESC=CC(=C)CCC=C(C)C=O
InChIInChI=1S/C10H14O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,1-2,5-6H2,3H3
InChIKeyNDYNCPVWWPJJKN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds5

About 2-methyl-6-methylideneocta-2,7-dienal

2-methyl-6-methylideneocta-2,7-dienal (PubChem CID 57156590) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-6-methylideneocta-2,7-dienal.

Molecular Properties

Compound Name2-methyl-6-methylideneocta-2,7-dienal
PubChem CID57156590
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-6-methylideneocta-2,7-dienal
SMILESC=CC(=C)CCC=C(C)C=O
InChIInChI=1S/C10H14O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,1-2,5-6H2,3H3
InChIKeyNDYNCPVWWPJJKN-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylideneocta-2,7-dienal?
The IUPAC name of 2-methyl-6-methylideneocta-2,7-dienal (CID 57156590) is 2-methyl-6-methylideneocta-2,7-dienal.
What is the SMILES notation for 2-methyl-6-methylideneocta-2,7-dienal?
The canonical SMILES for 2-methyl-6-methylideneocta-2,7-dienal is C=CC(=C)CCC=C(C)C=O.
What is the InChIKey of 2-methyl-6-methylideneocta-2,7-dienal?
The InChIKey is NDYNCPVWWPJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,1-2,5-6H2,3H3.
What are the key properties of 2-methyl-6-methylideneocta-2,7-dienal?
2-methyl-6-methylideneocta-2,7-dienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylideneocta-2,7-dienal is sourced from PubChem (CID 57156590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).