7-oxatetracyclo[6.4.0.02,6.05,10]dodecane

C11H16O — CID 596297

IUPAC7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
SMILESC1CC2C3CC1C1CCC2C1O3
InChIInChI=1S/C11H16O/c1-2-8-9-4-3-7-6(1)5-10(8)12-11(7)9/h6-11H,1-5H2
InChIKeyPZAFNBXGVVDFQS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.21
Rot. Bonds

About 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane

7-oxatetracyclo[6.4.0.02,6.05,10]dodecane (PubChem CID 596297) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane.

Molecular Properties

Compound Name7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
PubChem CID596297
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
SMILESC1CC2C3CC1C1CCC2C1O3
InChIInChI=1S/C11H16O/c1-2-8-9-4-3-7-6(1)5-10(8)12-11(7)9/h6-11H,1-5H2
InChIKeyPZAFNBXGVVDFQS-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)cyclohexyl]-8-hydroxy-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromen-6-one
CID 121242461
4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
CID 22216489
6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
CID 59281682
11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
CID 141144427
3-prop-2-enyl-1b,2,3,4,5,5a,6,6a-octahydro-1aH-indeno[1,2-b]oxirene
CID 22084376
(1S,2S,4S,6S,7S,9S)-3,8,11-trioxatetracyclo[4.4.1.02,4.07,9]undecane
CID 162902554
3-chloro-4-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 59765976
N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-amine
CID 165042610
(2S,3S)-2-(4-hydroxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene-3,5,7-triol
CID 140693006
3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine
CID 118464317
2-(4-hydroxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene-3,5,7-triol
CID 58711132
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344

Frequently Asked Questions

What is the IUPAC name of 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane?
The IUPAC name of 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane (CID 596297) is 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane.
What is the SMILES notation for 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane?
The canonical SMILES for 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane is C1CC2C3CC1C1CCC2C1O3.
What is the InChIKey of 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane?
The InChIKey is PZAFNBXGVVDFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-8-9-4-3-7-6(1)5-10(8)12-11(7)9/h6-11H,1-5H2.
What are the key properties of 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane?
7-oxatetracyclo[6.4.0.02,6.05,10]dodecane has a molecular weight of 164.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxatetracyclo[6.4.0.02,6.05,10]dodecane is sourced from PubChem (CID 596297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).