(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]

C26H28O6 — CID 10741578

IUPAC(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]
SMILESCC1(C)O[C@@H]2C3O[C@]4(OC4(c4ccccc4)c4ccccc4)C([C@@H]2O1)[C@@H]1OC(C)(C)O[C@H]31
InChIInChI=1S/C26H28O6/c1-23(2)27-18-17-19-21(30-24(3,4)28-19)22(20(18)29-23)31-26(17)25(32-26,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-22H,1-4H3/t17?,18-,19-,20-,21-,22?,26-/m0/s1
InChIKeyIBQIAEQAKGIYAW-HMBOYNGZSA-N
MW436.50 g/mol
LogP3.73
Rot. Bonds2

About (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]

(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] (PubChem CID 10741578) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane].

Molecular Properties

Compound Name(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]
PubChem CID10741578
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]
SMILESCC1(C)O[C@@H]2C3O[C@]4(OC4(c4ccccc4)c4ccccc4)C([C@@H]2O1)[C@@H]1OC(C)(C)O[C@H]31
InChIInChI=1S/C26H28O6/c1-23(2)27-18-17-19-21(30-24(3,4)28-19)22(20(18)29-23)31-26(17)25(32-26,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-22H,1-4H3/t17?,18-,19-,20-,21-,22?,26-/m0/s1
InChIKeyIBQIAEQAKGIYAW-HMBOYNGZSA-N
XLogP3.73
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] with MolForge

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(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
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Frequently Asked Questions

What is the IUPAC name of (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]?
The IUPAC name of (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] (CID 10741578) is (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane].
What is the SMILES notation for (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]?
The canonical SMILES for (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] is CC1(C)O[C@@H]2C3O[C@]4(OC4(c4ccccc4)c4ccccc4)C([C@@H]2O1)[C@@H]1OC(C)(C)O[C@H]31.
What is the InChIKey of (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]?
The InChIKey is IBQIAEQAKGIYAW-HMBOYNGZSA-N. The full InChI is InChI=1S/C26H28O6/c1-23(2)27-18-17-19-21(30-24(3,4)28-19)22(20(18)29-23)31-26(17)25(32-26,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-22H,1-4H3/t17?,18-,19-,20-,21-,22?,26-/m0/s1.
What are the key properties of (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane]?
(2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] has a molecular weight of 436.50 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,8S,12S,14S)-4,4,10,10-tetramethyl-2',2'-diphenylspiro[3,5,9,11,13-pentaoxatetracyclo[5.5.2.02,6.08,12]tetradecane-14,3'-oxirane] is sourced from PubChem (CID 10741578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).