2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

C10H14O2 — CID 156633397

IUPAC2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
SMILESCC1C2CC3OC3C2CC2OC21
InChIInChI=1S/C10H14O2/c1-4-5-2-8-10(12-8)6(5)3-7-9(4)11-7/h4-10H,2-3H2,1H3
InChIKeyITKOJNWZUWDQKS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds

About 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane (PubChem CID 156633397) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane.

Molecular Properties

Compound Name2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
PubChem CID156633397
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
SMILESCC1C2CC3OC3C2CC2OC21
InChIInChI=1S/C10H14O2/c1-4-5-2-8-10(12-8)6(5)3-7-9(4)11-7/h4-10H,2-3H2,1H3
InChIKeyITKOJNWZUWDQKS-UHFFFAOYSA-N
XLogP1.20
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
CID 142358304
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 53393744
(1S,2S,3S,5S,7R,8R,9S,11R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 99721647
2-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylic acid
CID 87274105
(1S,2S,4S,6S,7S,9S)-3,8,11-trioxatetracyclo[4.4.1.02,4.07,9]undecane
CID 162902554
10-methyl-12-oxatetracyclo[7.5.0.02,7.011,13]tetradec-5-en-8-one
CID 556713
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane
CID 142076390
(2S,4R,8S)-8-methyl-3-oxatricyclo[5.1.0.02,4]octane
CID 163528323
[dimethyl(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silyl]oxy-dimethyl-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silane
CID 102243381
4-methyl-3-propyl-1b,2,3,4,5,5a,6,6a-octahydro-1aH-indeno[1,2-b]oxirene
CID 89223204
5,12-dioxaheptacyclo[7.6.1.02,8.03,7.04,6.010,15.011,13]hexadecane
CID 123198267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The IUPAC name of 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane (CID 156633397) is 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane.
What is the SMILES notation for 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The canonical SMILES for 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane is CC1C2CC3OC3C2CC2OC21.
What is the InChIKey of 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The InChIKey is ITKOJNWZUWDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-2-8-10(12-8)6(5)3-7-9(4)11-7/h4-10H,2-3H2,1H3.
What are the key properties of 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane has a molecular weight of 166.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane is sourced from PubChem (CID 156633397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).