(3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene

C28H46 — CID 155701770

About (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene

(3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene (PubChem CID 155701770) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene.

Molecular Properties

• Compound Name: (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene
• PubChem CID: 155701770
• Molecular Formula: C28H46
• Molecular Weight: 382.68 g/mol
• Exact Mass: 382.36
• IUPAC Name: (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene
• SMILES: C=C/C(C)=C/C(=C)C(=C)C.C=CC.C=c1ccc(C)cc1=C(C)C.CC.CC
• InChI: InChI=1S/C11H14.C10H14.C3H6.2C2H6/c1-8(2)11-7-9(3)5-6-10(11)4;1-6-9(4)7-10(5)8(2)3;1-3-2;2*1-2/h5-7H,4H2,1-3H3;6-7H,1-2,5H2,3-4H3;3H,1H2,2H3;2*1-2H3/b;9-7+
• InChIKey: WQSDQNBRADLOKA-QRHNCZOPSA-N
• XLogP: 8.09
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.68
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene?

The IUPAC name of (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene (CID 155701770) is (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene.

What is the SMILES notation for (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene?

The canonical SMILES for (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene is C=C/C(C)=C/C(=C)C(=C)C.C=CC.C=c1ccc(C)cc1=C(C)C.CC.CC.

What is the InChIKey of (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene?

The InChIKey is WQSDQNBRADLOKA-QRHNCZOPSA-N. The full InChI is InChI=1S/C11H14.C10H14.C3H6.2C2H6/c1-8(2)11-7-9(3)5-6-10(11)4;1-6-9(4)7-10(5)8(2)3;1-3-2;2*1-2/h5-7H,4H2,1-3H3;6-7H,1-2,5H2,3-4H3;3H,1H2,2H3;2*1-2H3/b;9-7+;;;.

What are the key properties of (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene?

(3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene has a molecular weight of 382.68 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene is sourced from PubChem (CID 155701770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).