3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane

C6H6O4 — CID 45120387

IUPAC3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane
SMILESO1C2OC2C2OC2C2OC12
InChIInChI=1S/C6H6O4/c7-1-2(7)4-6(9-4)10-5-3(1)8-5/h1-6H
InChIKeyCUFFZHATOIAGQV-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.77
Rot. Bonds

About 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane

3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane (PubChem CID 45120387) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane.

Molecular Properties

Compound Name3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane
PubChem CID45120387
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane
SMILESO1C2OC2C2OC2C2OC12
InChIInChI=1S/C6H6O4/c7-1-2(7)4-6(9-4)10-5-3(1)8-5/h1-6H
InChIKeyCUFFZHATOIAGQV-UHFFFAOYSA-N
XLogP-0.77
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trioxatricyclo[3.3.1.03,7]nonane-8,9-diol
CID 130145131
(1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol
CID 10748706
(1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol
CID 101235779
9-methyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-4,11-dicarboxylic acid
CID 166083230
(1R,2R,4S,5S,7S,9R)-3,6,10-trioxatetracyclo[7.1.0.02,4.05,7]decan-8-ol
CID 12528736
8-bromo-3,6,10-trioxatetracyclo[7.1.0.02,4.05,7]decane
CID 13283333
(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol
CID 130361222
9-(chloromethyl)-4,11-dimethoxy-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 166083195
(1S,3S,6S,8R,11S,13S,16S,18S,21S,23R,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 89128000
(1S,3S,6S,8S,11S,13R,16S,18S,21S,23S,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 89335777
4,11-dibenzyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carbaldehyde
CID 175617266
(1R,3R,5R,6S,8S,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,34R,36S,37R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49S,50S)-49-azido-5,10,15,20,25,30,37-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,35,38-pentadecaoxanonacyclo[31.3.2.23,6.28,11.213,16.218,21.223,26.228,31.034,36]pentacontane-39,40,41,42,43,44,45,46,47,48,50-undecol
CID 176534474

Frequently Asked Questions

What is the IUPAC name of 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane?
The IUPAC name of 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane (CID 45120387) is 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane.
What is the SMILES notation for 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane?
The canonical SMILES for 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane is O1C2OC2C2OC2C2OC12.
What is the InChIKey of 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane?
The InChIKey is CUFFZHATOIAGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-1-2(7)4-6(9-4)10-5-3(1)8-5/h1-6H.
What are the key properties of 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane?
3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane has a molecular weight of 142.11 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane is sourced from PubChem (CID 45120387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).