4,6-dimethyl-2-methylidenehept-5-enal

C10H16O — CID 122553297

IUPAC4,6-dimethyl-2-methylidenehept-5-enal
SMILESC=C(C=O)CC(C)C=C(C)C
InChIInChI=1S/C10H16O/c1-8(2)5-9(3)6-10(4)7-11/h5,7,9H,4,6H2,1-3H3
InChIKeyFGHACLWDPKRMBG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds4

About 4,6-dimethyl-2-methylidenehept-5-enal

4,6-dimethyl-2-methylidenehept-5-enal (PubChem CID 122553297) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylidenehept-5-enal.

Molecular Properties

Compound Name4,6-dimethyl-2-methylidenehept-5-enal
PubChem CID122553297
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,6-dimethyl-2-methylidenehept-5-enal
SMILESC=C(C=O)CC(C)C=C(C)C
InChIInChI=1S/C10H16O/c1-8(2)5-9(3)6-10(4)7-11/h5,7,9H,4,6H2,1-3H3
InChIKeyFGHACLWDPKRMBG-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-2-methylidenehept-5-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-formylpent-4-en-2-yl acetate
CID 18991520
4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
CID 166734043
(4R)-2,4-dimethylhex-2-ene
CID 142611901
4-hydroxy-2-methylideneheptanal
CID 12014410
2,4,6-trimethylhept-2-ene
CID 558039
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
2-methyl(113C)prop-2-enal
CID 71749931
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
2-(methylaminomethyl)prop-2-enal
CID 154323639

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylidenehept-5-enal?
The IUPAC name of 4,6-dimethyl-2-methylidenehept-5-enal (CID 122553297) is 4,6-dimethyl-2-methylidenehept-5-enal.
What is the SMILES notation for 4,6-dimethyl-2-methylidenehept-5-enal?
The canonical SMILES for 4,6-dimethyl-2-methylidenehept-5-enal is C=C(C=O)CC(C)C=C(C)C.
What is the InChIKey of 4,6-dimethyl-2-methylidenehept-5-enal?
The InChIKey is FGHACLWDPKRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)5-9(3)6-10(4)7-11/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-methylidenehept-5-enal?
4,6-dimethyl-2-methylidenehept-5-enal has a molecular weight of 152.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylidenehept-5-enal is sourced from PubChem (CID 122553297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).