(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane

C18H28 — CID 144723415

IUPAC(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC
InChIInChI=1S/C15H20.C3H8/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-3-2/h8-11H,2,4-7H2,1,3H3;3H2,1-2H3/b10-8-,11-9-;
InChIKeyAZBMPFUEKCUBBP-OCPUFSFLSA-N
MW244.42 g/mol
LogP6.17
Rot. Bonds6

About (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane

(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane (PubChem CID 144723415) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane.

Molecular Properties

Compound Name(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
PubChem CID144723415
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC
InChIInChI=1S/C15H20.C3H8/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-3-2/h8-11H,2,4-7H2,1,3H3;3H2,1-2H3/b10-8-,11-9-;
InChIKeyAZBMPFUEKCUBBP-OCPUFSFLSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane 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

ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
ethene;(3Z)-6-(fluoromethyl)-2-methyl-5-methylidenehepta-1,3,6-triene;(5Z)-3,4,7-trimethylidenenona-1,5-diene
CID 144909675
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
[(3Z,7Z)-3-[(4Z)-3,6-dimethylideneocta-1,4-dien-2-yl]-9-methyl-5,6-dimethylidenedeca-3,7,9-trienyl] 2-methylprop-2-enoate
CID 145122786
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane?
The IUPAC name of (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane (CID 144723415) is (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane.
What is the SMILES notation for (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane?
The canonical SMILES for (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane is C=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC.
What is the InChIKey of (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane?
The InChIKey is AZBMPFUEKCUBBP-OCPUFSFLSA-N. The full InChI is InChI=1S/C15H20.C3H8/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-3-2/h8-11H,2,4-7H2,1,3H3;3H2,1-2H3/b10-8-,11-9-;.
What are the key properties of (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane?
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane has a molecular weight of 244.42 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane is sourced from PubChem (CID 144723415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).