(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane

C40H72O3P4 — CID 158265596

IUPAC(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane
SMILESC/C(=C/COPP)CCC1C(C)(O)CCC2C(C)(C)CCC[C@@]21C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CPP=O
InChIInChI=1S/C20H38O2P2.C20H34OP2/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;1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h10,16-17,21,24H,6-9,11-14,23H2,1-5H3;9,11,13,15,22H,6-8,10,12,14,16H2,1-5H3/b15-10-;18-11-,19-13+,20-15-/t16?,17?,19-,20?;/m0./s1
InChIKeyGIKBBRQTCBEROL-XNEWPPKKSA-N
MW724.91 g/mol
LogP14.12
Rot. Bonds18

About (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane

(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane (PubChem CID 158265596) has the molecular formula C40H72O3P4 and a molecular weight of 724.91 g/mol. Its IUPAC name is (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane.

Molecular Properties

Compound Name(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane
PubChem CID158265596
Molecular FormulaC40H72O3P4
Molecular Weight724.91 g/mol
Exact Mass724.44
IUPAC Name(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane
SMILESC/C(=C/COPP)CCC1C(C)(O)CCC2C(C)(C)CCC[C@@]21C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CPP=O
InChIInChI=1S/C20H38O2P2.C20H34OP2/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;1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h10,16-17,21,24H,6-9,11-14,23H2,1-5H3;9,11,13,15,22H,6-8,10,12,14,16H2,1-5H3/b15-10-;18-11-,19-13+,20-15-/t16?,17?,19-,20?;/m0./s1
InChIKeyGIKBBRQTCBEROL-XNEWPPKKSA-N
XLogP14.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 514.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane with MolForge

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Related Compounds

[(E)-5-[(1R,2S,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate
CID 162994762
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
(1S,2S,4aR,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346537
3-O-[5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate
CID 162921416
(1R,8aS)-2,5,5,8a-tetramethyl-1-[(Z)-3-methylpent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118288330
[(E)-5-[(1R,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-phosphanylphosphane
CID 134235566
phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
CID 90224829
phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane
CID 123632113
[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
CID 90224835
(1R,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966593
(1S,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966594
(3R,3aS,5aR,9aS,9bS)-3-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalene
CID 163079188

Frequently Asked Questions

What is the IUPAC name of (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane?
The IUPAC name of (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane (CID 158265596) is (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane.
What is the SMILES notation for (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane?
The canonical SMILES for (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane is C/C(=C/COPP)CCC1C(C)(O)CCC2C(C)(C)CCC[C@@]21C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CPP=O.
What is the InChIKey of (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane?
The InChIKey is GIKBBRQTCBEROL-XNEWPPKKSA-N. The full InChI is InChI=1S/C20H38O2P2.C20H34OP2/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;1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h10,16-17,21,24H,6-9,11-14,23H2,1-5H3;9,11,13,15,22H,6-8,10,12,14,16H2,1-5H3/b15-10-;18-11-,19-13+,20-15-/t16?,17?,19-,20?;/m0./s1.
What are the key properties of (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane?
(8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane has a molecular weight of 724.91 g/mol, XLogP of 14.12, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1-[(Z)-5-(diphosphanyloxy)-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;phosphoroso-[(2Z,6E,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phosphane is sourced from PubChem (CID 158265596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).