(Z)-2,6-dimethyl-5-methylidenehept-2-enal

C10H16O — CID 5280680

IUPAC(Z)-2,6-dimethyl-5-methylidenehept-2-enal
SMILESC=C(C/C=C(/C)C=O)C(C)C
InChIInChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
InChIKeyKDMDLRXLBMMBSU-UITAMQMPSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds4

About (Z)-2,6-dimethyl-5-methylidenehept-2-enal

(Z)-2,6-dimethyl-5-methylidenehept-2-enal (PubChem CID 5280680) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-2,6-dimethyl-5-methylidenehept-2-enal.

Molecular Properties

Compound Name(Z)-2,6-dimethyl-5-methylidenehept-2-enal
PubChem CID5280680
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(Z)-2,6-dimethyl-5-methylidenehept-2-enal
SMILESC=C(C/C=C(/C)C=O)C(C)C
InChIInChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
InChIKeyKDMDLRXLBMMBSU-UITAMQMPSA-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 (Z)-2,6-dimethyl-5-methylidenehept-2-enal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2,6-dimethyl-5-methylidenehept-2-enal?
The IUPAC name of (Z)-2,6-dimethyl-5-methylidenehept-2-enal (CID 5280680) is (Z)-2,6-dimethyl-5-methylidenehept-2-enal.
What is the SMILES notation for (Z)-2,6-dimethyl-5-methylidenehept-2-enal?
The canonical SMILES for (Z)-2,6-dimethyl-5-methylidenehept-2-enal is C=C(C/C=C(/C)C=O)C(C)C.
What is the InChIKey of (Z)-2,6-dimethyl-5-methylidenehept-2-enal?
The InChIKey is KDMDLRXLBMMBSU-UITAMQMPSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-.
What are the key properties of (Z)-2,6-dimethyl-5-methylidenehept-2-enal?
(Z)-2,6-dimethyl-5-methylidenehept-2-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 (Z)-2,6-dimethyl-5-methylidenehept-2-enal is sourced from PubChem (CID 5280680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).