(4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane

C24H40O2 — CID 59987664

About (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane

(4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane (PubChem CID 59987664) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane.

Molecular Properties

• Compound Name: (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane
• PubChem CID: 59987664
• Molecular Formula: C24H40O2
• Molecular Weight: 360.58 g/mol
• Exact Mass: 360.30
• IUPAC Name: (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane
• SMILES: C=CCC(C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1C[C@@H]1OC(C)(C)O[C@H]1C=C
• InChI: InChI=1S/C24H40O2/c1-9-11-17(5)14-20-18(6)12-13-19(16(3)4)21(20)15-23-22(10-2)25-24(7,8)26-23/h9-10,12,16-17,19-23H,1-2,11,13-15H2,3-8H3/t17?,19-,20+,21-,22+,23+/m1/s1
• InChIKey: SDMZVSCXRUCGDV-UTECOTHKSA-N
• XLogP: 6.54
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.58
LogP ≤ 5	6.54
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 (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane?

The IUPAC name of (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane (CID 59987664) is (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane.

What is the SMILES notation for (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane?

The canonical SMILES for (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane is C=CCC(C)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1C[C@@H]1OC(C)(C)O[C@H]1C=C.

What is the InChIKey of (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane?

The InChIKey is SDMZVSCXRUCGDV-UTECOTHKSA-N. The full InChI is InChI=1S/C24H40O2/c1-9-11-17(5)14-20-18(6)12-13-19(16(3)4)21(20)15-23-22(10-2)25-24(7,8)26-23/h9-10,12,16-17,19-23H,1-2,11,13-15H2,3-8H3/t17?,19-,20+,21-,22+,23+/m1/s1.

What are the key properties of (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane?

(4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane has a molecular weight of 360.58 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane is sourced from PubChem (CID 59987664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).