(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole

C24H36O4P2 — CID 88877038

IUPAC(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
SMILESCC1[C@H]2OC(C)(C)OC2[C@H](C)P1c1ccccc1P1[C@@H](C)C2OC(C)(C)OC2[C@@H]1C
InChIInChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16?,19?,20?,21?,22+,29?,30?/m0/s1
InChIKeyFAXNYESSWMPAKD-VAURPXQRSA-N
MW450.50 g/mol
LogP4.52
Rot. Bonds2

About (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole

(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole (PubChem CID 88877038) has the molecular formula C24H36O4P2 and a molecular weight of 450.50 g/mol. Its IUPAC name is (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
PubChem CID88877038
Molecular FormulaC24H36O4P2
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
SMILESCC1[C@H]2OC(C)(C)OC2[C@H](C)P1c1ccccc1P1[C@@H](C)C2OC(C)(C)OC2[C@@H]1C
InChIInChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16?,19?,20?,21?,22+,29?,30?/m0/s1
InChIKeyFAXNYESSWMPAKD-VAURPXQRSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole?
The IUPAC name of (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole (CID 88877038) is (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole.
What is the SMILES notation for (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole?
The canonical SMILES for (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole is CC1[C@H]2OC(C)(C)OC2[C@H](C)P1c1ccccc1P1[C@@H](C)C2OC(C)(C)OC2[C@@H]1C.
What is the InChIKey of (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole?
The InChIKey is FAXNYESSWMPAKD-VAURPXQRSA-N. The full InChI is InChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16?,19?,20?,21?,22+,29?,30?/m0/s1.
What are the key properties of (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole?
(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole has a molecular weight of 450.50 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole is sourced from PubChem (CID 88877038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).