(4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane

C33H48O2 — CID 54511298

About (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane

(4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane (PubChem CID 54511298) has the molecular formula C33H48O2 and a molecular weight of 476.75 g/mol. Its IUPAC name is (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane.

Molecular Properties

• Compound Name: (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane
• PubChem CID: 54511298
• Molecular Formula: C33H48O2
• Molecular Weight: 476.75 g/mol
• Exact Mass: 476.37
• IUPAC Name: (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane
• SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C2OC(C)[C@H](C)O2)C(C)(C)CC(C)C1C
• InChI: InChI=1S/C33H48O2/c1-23(14-11-12-15-24(2)19-21-32-34-29(7)30(8)35-32)16-13-17-25(3)18-20-31-28(6)27(5)26(4)22-33(31,9)10/h11-21,26-27,29-30,32H,22H2,1-10H3/b12-11+,16-13+,20-18+,21-19+,23-14+,24-15+,25-17+/t26?,27?,29-,30?,32?/m0/s1
• InChIKey: YJHNOSJPYLSWRU-USXSWFLGSA-N
• XLogP: 9.22
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.75
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane?

The IUPAC name of (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane (CID 54511298) is (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane.

What is the SMILES notation for (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane?

The canonical SMILES for (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C2OC(C)[C@H](C)O2)C(C)(C)CC(C)C1C.

What is the InChIKey of (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane?

The InChIKey is YJHNOSJPYLSWRU-USXSWFLGSA-N. The full InChI is InChI=1S/C33H48O2/c1-23(14-11-12-15-24(2)19-21-32-34-29(7)30(8)35-32)16-13-17-25(3)18-20-31-28(6)27(5)26(4)22-33(31,9)10/h11-21,26-27,29-30,32H,22H2,1-10H3/b12-11+,16-13+,20-18+,21-19+,23-14+,24-15+,25-17+/t26?,27?,29-,30?,32?/m0/s1.

What are the key properties of (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane?

(4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane has a molecular weight of 476.75 g/mol, XLogP of 9.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4,5-dimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,8,12-trimethyl-14-(2,3,4,6,6-pentamethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]-1,3-dioxolane is sourced from PubChem (CID 54511298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).