5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane

C38H62 — CID 123248657

About 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane

5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane (PubChem CID 123248657) has the molecular formula C38H62 and a molecular weight of 518.91 g/mol. Its IUPAC name is 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane.

Molecular Properties

• Compound Name: 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane
• PubChem CID: 123248657
• Molecular Formula: C38H62
• Molecular Weight: 518.91 g/mol
• Exact Mass: 518.49
• IUPAC Name: 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane
• SMILES: C=C(C)C(C=CC=C(C)C1CCC2C(=C)C3C(CC1C)C23C)CC(C)C(C)CC1CC1C(C)(CC)CCC
• InChI: InChI=1S/C38H62/c1-12-19-37(10,13-2)34-23-31(34)21-27(7)26(6)20-30(24(3)4)16-14-15-25(5)32-17-18-33-29(9)36-35(22-28(32)8)38(33,36)11/h14-16,26-28,30-36H,3,9,12-13,17-23H2,1-2,4-8,10-11H3
• InChIKey: VPEYVHJYNZKFSI-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.91
LogP ≤ 5	11.46
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 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane?

The IUPAC name of 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane (CID 123248657) is 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane.

What is the SMILES notation for 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane?

The canonical SMILES for 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane is C=C(C)C(C=CC=C(C)C1CCC2C(=C)C3C(CC1C)C23C)CC(C)C(C)CC1CC1C(C)(CC)CCC.

What is the InChIKey of 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane?

The InChIKey is VPEYVHJYNZKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62/c1-12-19-37(10,13-2)34-23-31(34)21-27(7)26(6)20-30(24(3)4)16-14-15-25(5)32-17-18-33-29(9)36-35(22-28(32)8)38(33,36)11/h14-16,26-28,30-36H,3,9,12-13,17-23H2,1-2,4-8,10-11H3.

What are the key properties of 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane?

5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane has a molecular weight of 518.91 g/mol, XLogP of 11.46, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8,9-dimethyl-10-[2-(3-methylhexan-3-yl)cyclopropyl]-6-prop-1-en-2-yldeca-2,4-dien-2-yl]-1,4-dimethyl-9-methylidenetricyclo[6.2.0.02,10]decane is sourced from PubChem (CID 123248657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).