(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

C12H18O5 — CID 134830663

IUPAC(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESC=C1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12
InChIInChI=1S/C12H18O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h7-10H,1H2,2-5H3/t7-,8?,9?,10+/m0/s1
InChIKeyUZDOILJZRDZYHW-AUXWQGHOSA-N
MW242.27 g/mol
LogP1.53
Rot. Bonds

About (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (PubChem CID 134830663) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
PubChem CID134830663
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESC=C1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12
InChIInChI=1S/C12H18O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h7-10H,1H2,2-5H3/t7-,8?,9?,10+/m0/s1
InChIKeyUZDOILJZRDZYHW-AUXWQGHOSA-N
XLogP1.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,6S,6aS)-2,2,6-trimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 163743703
(6R)-6-methoxy-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 162416461
tert-butyl-[[(6R)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
CID 135045767
[(3aR,6R,6aR)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 101488762
(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-11-thione
CID 10911415
(3aS,6S,6aS)-6-ethenyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10954196
(3aR,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 102136876
(1R,2S,6S,8S,9R)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 42578994
(1R,2R,6R,8S,9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 11229657
(9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 45039605
9-chloro-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 14505954
(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-amine
CID 134275052

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (CID 134830663) is (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is C=C1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12.
What is the InChIKey of (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The InChIKey is UZDOILJZRDZYHW-AUXWQGHOSA-N. The full InChI is InChI=1S/C12H18O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h7-10H,1H2,2-5H3/t7-,8?,9?,10+/m0/s1.
What are the key properties of (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane has a molecular weight of 242.27 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 134830663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).