4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene

C21H36 — CID 161280162

IUPAC4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
SMILESC=CCC(=CC)CCC=C(C)C.C=CCCCC=C(C)C
InChIInChI=1S/C12H20.C9H16/c1-5-8-12(6-2)10-7-9-11(3)4;1-4-5-6-7-8-9(2)3/h5-6,9H,1,7-8,10H2,2-4H3;4,8H,1,5-7H2,2-3H3
InChIKeyVEYXTOVBAKVVRB-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.56
Rot. Bonds9

About 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene

4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene (PubChem CID 161280162) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene.

Molecular Properties

Compound Name4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
PubChem CID161280162
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
SMILESC=CCC(=CC)CCC=C(C)C.C=CCCCC=C(C)C
InChIInChI=1S/C12H20.C9H16/c1-5-8-12(6-2)10-7-9-11(3)4;1-4-5-6-7-8-9(2)3/h5-6,9H,1,7-8,10H2,2-4H3;4,8H,1,5-7H2,2-3H3
InChIKeyVEYXTOVBAKVVRB-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
CID 101195298
2-ethylidene-6-methylhept-5-en-1-ol
CID 54249540
4-ethylidenedeca-1,7-diene
CID 72650230
6,15-dimethylhexadeca-1,6,9,14-tetraene
CID 173346096
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4Z)-4-ethylidenehept-1-ene
CID 12841273
methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate
CID 13227149
(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
CID 100952255
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
CID 100952257
(9Z)-9-ethyl-5-methylundeca-1,5,9-triene
CID 59685224
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene?
The IUPAC name of 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene (CID 161280162) is 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene.
What is the SMILES notation for 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene?
The canonical SMILES for 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene is C=CCC(=CC)CCC=C(C)C.C=CCCCC=C(C)C.
What is the InChIKey of 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene?
The InChIKey is VEYXTOVBAKVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C9H16/c1-5-8-12(6-2)10-7-9-11(3)4;1-4-5-6-7-8-9(2)3/h5-6,9H,1,7-8,10H2,2-4H3;4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene?
4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene has a molecular weight of 288.52 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene is sourced from PubChem (CID 161280162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).