2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene

C30H44O2 — CID 91553055

About 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene

2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene (PubChem CID 91553055) has the molecular formula C30H44O2 and a molecular weight of 436.68 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene.

Molecular Properties

• Compound Name: 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene
• PubChem CID: 91553055
• Molecular Formula: C30H44O2
• Molecular Weight: 436.68 g/mol
• Exact Mass: 436.33
• IUPAC Name: 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene
• SMILES: CCC1C(C2=CC=C(OC)CC2C)CC2(C)CC=C(OC)C=C2C1CC1CC=CC(C)C1
• InChI: InChI=1S/C30H44O2/c1-7-25-27(17-22-10-8-9-20(2)15-22)29-18-24(32-6)13-14-30(29,4)19-28(25)26-12-11-23(31-5)16-21(26)3/h8-9,11-13,18,20-22,25,27-28H,7,10,14-17,19H2,1-6H3
• InChIKey: IGSNBRIIIBMVKD-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.68
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene?

The IUPAC name of 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene (CID 91553055) is 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene.

What is the SMILES notation for 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene?

The canonical SMILES for 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene is CCC1C(C2=CC=C(OC)CC2C)CC2(C)CC=C(OC)C=C2C1CC1CC=CC(C)C1.

What is the InChIKey of 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene?

The InChIKey is IGSNBRIIIBMVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2/c1-7-25-27(17-22-10-8-9-20(2)15-22)29-18-24(32-6)13-14-30(29,4)19-28(25)26-12-11-23(31-5)16-21(26)3/h8-9,11-13,18,20-22,25,27-28H,7,10,14-17,19H2,1-6H3.

What are the key properties of 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene?

2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene has a molecular weight of 436.68 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-7-methoxy-3-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-4a-methyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]-2,3,4,5-tetrahydro-1H-naphthalene is sourced from PubChem (CID 91553055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).