(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one

C10H12O5 — CID 139200717

IUPAC(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one
SMILESO=C1C[C@H]2[C@@H](O1)O[C@@H]1O[C@H]3OCC[C@H]3[C@@H]12
InChIInChI=1S/C10H12O5/c11-6-3-5-7-4-1-2-12-8(4)14-10(7)15-9(5)13-6/h4-5,7-10H,1-3H2/t4-,5+,7+,8+,9-,10-/m0/s1
InChIKeyOIPFSRQRKOCPOL-GECIHGONSA-N
MW212.20 g/mol
LogP0.24
Rot. Bonds

About (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one

(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one (PubChem CID 139200717) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one.

Molecular Properties

Compound Name(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one
PubChem CID139200717
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one
SMILESO=C1C[C@H]2[C@@H](O1)O[C@@H]1O[C@H]3OCC[C@H]3[C@@H]12
InChIInChI=1S/C10H12O5/c11-6-3-5-7-4-1-2-12-8(4)14-10(7)15-9(5)13-6/h4-5,7-10H,1-3H2/t4-,5+,7+,8+,9-,10-/m0/s1
InChIKeyOIPFSRQRKOCPOL-GECIHGONSA-N
XLogP0.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one with MolForge

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Launch Full Analysis

Related Compounds

Hexahydro-1h-1,6-epoxycyclopenta[1,2-c:3,4-c']difuran-3,4-dione
CID 223841
(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid
CID 10488240
(3aR,3bR,6aS,7aR)-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one
CID 168304957
(1R,2R,6R,8S)-5,7,9-trioxatricyclo[6.4.0.0^2,6^]dodecan-4-one
CID 168304959
(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one
CID 168304960
2,8,12-Trioxatetracyclo[7.2.1.04,11.06,10]dodecan-3-one
CID 15807395
9-Methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
CID 163939837
[(1S,3S,4R,6S,9S,10R,11R)-1,9-dimethyl-7-oxo-2,8,12-trioxatetracyclo[7.2.1.04,11.06,10]dodecan-3-yl] acetate
CID 10587948
(1R,2S,3R,6R,8R,11S)-5,7,9-trioxatetracyclo[6.4.0.02,6.03,11]dodecan-10-one
CID 10773764
(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
CID 11019875
[(1S,3S,4R,6S,9S,10S,11R)-1,9-dimethyl-7-oxo-2,8,12-trioxatetracyclo[7.2.1.04,11.06,10]dodecan-3-yl] acetate
CID 22953300
[(1R,2R,6R,8R)-9-acetyloxy-3,11-dioxo-4,10-dioxatricyclo[6.3.0.02,6]undecan-5-yl] acetate
CID 23264924

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one?
The IUPAC name of (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one (CID 139200717) is (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one.
What is the SMILES notation for (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one?
The canonical SMILES for (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one is O=C1C[C@H]2[C@@H](O1)O[C@@H]1O[C@H]3OCC[C@H]3[C@@H]12.
What is the InChIKey of (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one?
The InChIKey is OIPFSRQRKOCPOL-GECIHGONSA-N. The full InChI is InChI=1S/C10H12O5/c11-6-3-5-7-4-1-2-12-8(4)14-10(7)15-9(5)13-6/h4-5,7-10H,1-3H2/t4-,5+,7+,8+,9-,10-/m0/s1.
What are the key properties of (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one?
(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one has a molecular weight of 212.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecan-4-one is sourced from PubChem (CID 139200717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).