(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane

C15H24O5 — CID 102387285

IUPAC(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
SMILESCC/C=C1\O[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H24O5/c1-6-7-9-11-13(20-15(4,5)19-11)12-10(17-9)8-16-14(2,3)18-12/h7,10-13H,6,8H2,1-5H3/b9-7-/t10-,11-,12-,13-/m1/s1
InChIKeyQOQBCXALHOAIMT-UBXHCTEUSA-N
MW284.35 g/mol
LogP2.35
Rot. Bonds1

About (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane

(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane (PubChem CID 102387285) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane.

Molecular Properties

Compound Name(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
PubChem CID102387285
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
SMILESCC/C=C1\O[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H24O5/c1-6-7-9-11-13(20-15(4,5)19-11)12-10(17-9)8-16-14(2,3)18-12/h7,10-13H,6,8H2,1-5H3/b9-7-/t10-,11-,12-,13-/m1/s1
InChIKeyQOQBCXALHOAIMT-UBXHCTEUSA-N
XLogP2.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane with MolForge

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Related Compounds

(2E)-2-[(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]ethanol
CID 56926760
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167
(2Z)-2-[(3aR,6S,7S,7aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ylidene]acetonitrile
CID 101018394
6-ethyl-2,2,7-trimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine
CID 20716974
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905
(1R,2S,6S,7R,9R)-7-chloro-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 11808046
(1R,6R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecane
CID 71169382
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
methyl (2Z)-2-(4-methoxyphenyl)-2-[(1R,2S,6S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-ylidene]acetate
CID 56925421
2-[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]ethanol
CID 101335184
(1S,2R,6R,7R,9R)-7-methoxy-12,12-dimethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-4-one
CID 124796254

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The IUPAC name of (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane (CID 102387285) is (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane.
What is the SMILES notation for (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The canonical SMILES for (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane is CC/C=C1\O[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The InChIKey is QOQBCXALHOAIMT-UBXHCTEUSA-N. The full InChI is InChI=1S/C15H24O5/c1-6-7-9-11-13(20-15(4,5)19-11)12-10(17-9)8-16-14(2,3)18-12/h7,10-13H,6,8H2,1-5H3/b9-7-/t10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
(1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane has a molecular weight of 284.35 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7Z,9R)-4,4,12,12-tetramethyl-7-propylidene-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane is sourced from PubChem (CID 102387285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).