1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene

C39H70O3P2 — CID 159673944

About 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene

1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene (PubChem CID 159673944) has the molecular formula C39H70O3P2 and a molecular weight of 648.93 g/mol. Its IUPAC name is 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene.

Molecular Properties

• Compound Name: 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
• PubChem CID: 159673944
• Molecular Formula: C39H70O3P2
• Molecular Weight: 648.93 g/mol
• Exact Mass: 648.48
• IUPAC Name: 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
• SMILES: C/C(=C/COPP)CCC1C(C)(O)CCC2C(C)(C)CCCC21C.C=C[C@]1(C)CCC2C(CCC3C(C)(C)CCCC23C)O1
• InChI: InChI=1S/C20H38O2P2.C19H32O/c1-15(10-14-22-24-23)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21;1-6-18(4)13-10-14-15(20-18)8-9-16-17(2,3)11-7-12-19(14,16)5/h10,16-17,21,24H,6-9,11-14,23H2,1-5H3;6,14-16H,1,7-13H2,2-5H3/b15-10-;/t;14?,15?,16?,18-,19?/m.1/s1
• InChIKey: MUIWPGGRDZBJQS-BRIMJRBTSA-N
• XLogP: 11.46
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.93
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?

The IUPAC name of 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene (CID 159673944) is 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene.

What is the SMILES notation for 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?

The canonical SMILES for 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene is C/C(=C/COPP)CCC1C(C)(O)CCC2C(C)(C)CCCC21C.C=C[C@]1(C)CCC2C(CCC3C(C)(C)CCCC23C)O1.

What is the InChIKey of 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?

The InChIKey is MUIWPGGRDZBJQS-BRIMJRBTSA-N. The full InChI is InChI=1S/C20H38O2P2.C19H32O/c1-15(10-14-22-24-23)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21;1-6-18(4)13-10-14-15(20-18)8-9-16-17(2,3)11-7-12-19(14,16)5/h10,16-17,21,24H,6-9,11-14,23H2,1-5H3;6,14-16H,1,7-13H2,2-5H3/b15-10-;/t;14?,15?,16?,18-,19?/m.1/s1.

What are the key properties of 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?

1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene has a molecular weight of 648.93 g/mol, XLogP of 11.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;(3S)-3-ethenyl-3,7,7,10a-tetramethyl-1,2,4a,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene is sourced from PubChem (CID 159673944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).