(2E)-2-methyl-6-methylideneocta-2,7-dienal

C10H14O — CID 14400165

IUPAC(2E)-2-methyl-6-methylideneocta-2,7-dienal
SMILESC=CC(=C)CC/C=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/b10-7+
InChIKeyNDYNCPVWWPJJKN-JXMROGBWSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds5

About (2E)-2-methyl-6-methylideneocta-2,7-dienal

(2E)-2-methyl-6-methylideneocta-2,7-dienal (PubChem CID 14400165) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E)-2-methyl-6-methylideneocta-2,7-dienal.

Molecular Properties

Compound Name(2E)-2-methyl-6-methylideneocta-2,7-dienal
PubChem CID14400165
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2E)-2-methyl-6-methylideneocta-2,7-dienal
SMILESC=CC(=C)CC/C=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/b10-7+
InChIKeyNDYNCPVWWPJJKN-JXMROGBWSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methyl-6-methylideneocta-2,7-dienal?
The IUPAC name of (2E)-2-methyl-6-methylideneocta-2,7-dienal (CID 14400165) is (2E)-2-methyl-6-methylideneocta-2,7-dienal.
What is the SMILES notation for (2E)-2-methyl-6-methylideneocta-2,7-dienal?
The canonical SMILES for (2E)-2-methyl-6-methylideneocta-2,7-dienal is C=CC(=C)CC/C=C(\C)C=O.
What is the InChIKey of (2E)-2-methyl-6-methylideneocta-2,7-dienal?
The InChIKey is NDYNCPVWWPJJKN-JXMROGBWSA-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/b10-7+.
What are the key properties of (2E)-2-methyl-6-methylideneocta-2,7-dienal?
(2E)-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 (2E)-2-methyl-6-methylideneocta-2,7-dienal is sourced from PubChem (CID 14400165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).