4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene

C17H30 — CID 59970603

IUPAC4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene
SMILESC=CCC(=CC)C(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C17H30/c1-10-12-15(11-2)17(8,9)16(6,7)14(5)13(3)4/h10-11H,1,12H2,2-9H3
InChIKeyCMCOZYCEIATLRR-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.92
Rot. Bonds5

About 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene

4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene (PubChem CID 59970603) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene.

Molecular Properties

Compound Name4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene
PubChem CID59970603
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene
SMILESC=CCC(=CC)C(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C17H30/c1-10-12-15(11-2)17(8,9)16(6,7)14(5)13(3)4/h10-11H,1,12H2,2-9H3
InChIKeyCMCOZYCEIATLRR-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene 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

1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
CID 145272327
5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 59970602
(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene
CID 20695232
(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene
CID 20817575
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(213C)pent-4-en-2-one
CID 173180315
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507
4,6-dimethylocta-1,4,6-triene
CID 123877249
(4Z)-4-iodohexa-1,4-diene
CID 88547743
4-ethenylhexa-1,4-diene
CID 85441048
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
CID 166969590

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene?
The IUPAC name of 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene (CID 59970603) is 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene.
What is the SMILES notation for 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene?
The canonical SMILES for 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene is C=CCC(=CC)C(C)(C)C(C)(C)C(C)=C(C)C.
What is the InChIKey of 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene?
The InChIKey is CMCOZYCEIATLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-10-12-15(11-2)17(8,9)16(6,7)14(5)13(3)4/h10-11H,1,12H2,2-9H3.
What are the key properties of 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene?
4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene has a molecular weight of 234.43 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene is sourced from PubChem (CID 59970603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).