(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane

C14H16O4 — CID 177342402

IUPAC(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)OC2C(O1)[C@@]1(c3ccccc3)CO[C@@H]2O1
InChIInChI=1S/C14H16O4/c1-13(2)16-10-11(17-13)14(8-15-12(10)18-14)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10?,11?,12-,14+/m1/s1
InChIKeyGCRFKDBJDSOFRZ-YZVRNYIASA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds1

About (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane

(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane (PubChem CID 177342402) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane
PubChem CID177342402
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)OC2C(O1)[C@@]1(c3ccccc3)CO[C@@H]2O1
InChIInChI=1S/C14H16O4/c1-13(2)16-10-11(17-13)14(8-15-12(10)18-14)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10?,11?,12-,14+/m1/s1
InChIKeyGCRFKDBJDSOFRZ-YZVRNYIASA-N
XLogP1.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

(3aS,4R,7aR)-2,2-dimethyl-7,7-diphenyl-4,7a-dihydro-3aH-1,3-benzodioxol-4-ol
CID 10358761
2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium 6-oxide
CID 11191491
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(3aS,8aS)-2,2,5,7-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 102457932
(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
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(3aR,4S,7R,7aS)-2,2-dimethyl-4-phenylselanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 10925515
[(1S,2S,6S,7S,8S,9R)-8-benzoyloxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] benzoate
CID 101174582
(3aS,8aS)-6-tert-butyl-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 162462396
(3aS,8aS)-N,2,2-trimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
CID 101072445
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(6R,7S,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 55250433

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane (CID 177342402) is (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane is CC1(C)OC2C(O1)[C@@]1(c3ccccc3)CO[C@@H]2O1.
What is the InChIKey of (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane?
The InChIKey is GCRFKDBJDSOFRZ-YZVRNYIASA-N. The full InChI is InChI=1S/C14H16O4/c1-13(2)16-10-11(17-13)14(8-15-12(10)18-14)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10?,11?,12-,14+/m1/s1.
What are the key properties of (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane?
(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane has a molecular weight of 248.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 177342402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).