8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene

C17H26O — CID 123743663

IUPAC8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
SMILESC=CC=CC(=C)C(C)=C(OC)C(=CC)C(C)(C)C
InChIInChI=1S/C17H26O/c1-9-11-12-13(3)14(4)16(18-8)15(10-2)17(5,6)7/h9-12H,1,3H2,2,4-8H3
InChIKeyZTJRINKZMLEQOA-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.20
Rot. Bonds5

About 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene

8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene (PubChem CID 123743663) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene.

Molecular Properties

Compound Name8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
PubChem CID123743663
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
SMILESC=CC=CC(=C)C(C)=C(OC)C(=CC)C(C)(C)C
InChIInChI=1S/C17H26O/c1-9-11-12-13(3)14(4)16(18-8)15(10-2)17(5,6)7/h9-12H,1,3H2,2,4-8H3
InChIKeyZTJRINKZMLEQOA-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene 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

(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368
O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
CID 143947867
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
CID 174764747
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The IUPAC name of 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene (CID 123743663) is 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene.
What is the SMILES notation for 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The canonical SMILES for 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene is C=CC=CC(=C)C(C)=C(OC)C(=CC)C(C)(C)C.
What is the InChIKey of 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The InChIKey is ZTJRINKZMLEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-9-11-12-13(3)14(4)16(18-8)15(10-2)17(5,6)7/h9-12H,1,3H2,2,4-8H3.
What are the key properties of 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene has a molecular weight of 246.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene is sourced from PubChem (CID 123743663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).