2-prop-2-enylhepta-2,6-dienal

C10H14O — CID 86222207

IUPAC2-prop-2-enylhepta-2,6-dienal
SMILESC=CCCC=C(C=O)CC=C
InChIInChI=1S/C10H14O/c1-3-5-6-8-10(9-11)7-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyTXXDQRNZRPDNLA-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds6

About 2-prop-2-enylhepta-2,6-dienal

2-prop-2-enylhepta-2,6-dienal (PubChem CID 86222207) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-prop-2-enylhepta-2,6-dienal.

Molecular Properties

Compound Name2-prop-2-enylhepta-2,6-dienal
PubChem CID86222207
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-prop-2-enylhepta-2,6-dienal
SMILESC=CCCC=C(C=O)CC=C
InChIInChI=1S/C10H14O/c1-3-5-6-8-10(9-11)7-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyTXXDQRNZRPDNLA-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylhepta-2,6-dienal?
The IUPAC name of 2-prop-2-enylhepta-2,6-dienal (CID 86222207) is 2-prop-2-enylhepta-2,6-dienal.
What is the SMILES notation for 2-prop-2-enylhepta-2,6-dienal?
The canonical SMILES for 2-prop-2-enylhepta-2,6-dienal is C=CCCC=C(C=O)CC=C.
What is the InChIKey of 2-prop-2-enylhepta-2,6-dienal?
The InChIKey is TXXDQRNZRPDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-6-8-10(9-11)7-4-2/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 2-prop-2-enylhepta-2,6-dienal?
2-prop-2-enylhepta-2,6-dienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylhepta-2,6-dienal is sourced from PubChem (CID 86222207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).