(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene

C25H40P2 — CID 166973646

IUPAC(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene
SMILESCC(C)C1CCC2C(C)CC(C)[C@H]3CCC(C(C)C)P3c3ccccc3P12
InChIInChI=1S/C25H40P2/c1-16(2)20-11-13-22-18(5)15-19(6)23-14-12-21(17(3)4)27(23)25-10-8-7-9-24(25)26(20)22/h7-10,16-23H,11-15H2,1-6H3/t18?,19?,20?,21?,22-,23?,26?,27?/m1/s1
InChIKeyKAZGZADFRASHBT-FCWLIYGPSA-N
MW402.54 g/mol
LogP6.95
Rot. Bonds2

About (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene

(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene (PubChem CID 166973646) has the molecular formula C25H40P2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene.

Molecular Properties

Compound Name(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene
PubChem CID166973646
Molecular FormulaC25H40P2
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene
SMILESCC(C)C1CCC2C(C)CC(C)[C@H]3CCC(C(C)C)P3c3ccccc3P12
InChIInChI=1S/C25H40P2/c1-16(2)20-11-13-22-18(5)15-19(6)23-14-12-21(17(3)4)27(23)25-10-8-7-9-24(25)26(20)22/h7-10,16-23H,11-15H2,1-6H3/t18?,19?,20?,21?,22-,23?,26?,27?/m1/s1
InChIKeyKAZGZADFRASHBT-FCWLIYGPSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene?
The IUPAC name of (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene (CID 166973646) is (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene.
What is the SMILES notation for (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene?
The canonical SMILES for (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene is CC(C)C1CCC2C(C)CC(C)[C@H]3CCC(C(C)C)P3c3ccccc3P12.
What is the InChIKey of (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene?
The InChIKey is KAZGZADFRASHBT-FCWLIYGPSA-N. The full InChI is InChI=1S/C25H40P2/c1-16(2)20-11-13-22-18(5)15-19(6)23-14-12-21(17(3)4)27(23)25-10-8-7-9-24(25)26(20)22/h7-10,16-23H,11-15H2,1-6H3/t18?,19?,20?,21?,22-,23?,26?,27?/m1/s1.
What are the key properties of (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene?
(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene has a molecular weight of 402.54 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene is sourced from PubChem (CID 166973646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).