6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane

C15H26O2 — CID 167079205

IUPAC6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
SMILESCC1OC2CCC3CCCCCC3CCC2O1
InChIInChI=1S/C15H26O2/c1-11-16-14-9-7-12-5-3-2-4-6-13(12)8-10-15(14)17-11/h11-15H,2-10H2,1H3
InChIKeyCXTIGXUHRXHESH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.89
Rot. Bonds

About 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane

6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane (PubChem CID 167079205) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane.

Molecular Properties

Compound Name6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
PubChem CID167079205
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
SMILESCC1OC2CCC3CCCCCC3CCC2O1
InChIInChI=1S/C15H26O2/c1-11-16-14-9-7-12-5-3-2-4-6-13(12)8-10-15(14)17-11/h11-15H,2-10H2,1H3
InChIKeyCXTIGXUHRXHESH-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cycloheptyl-8-oxabicyclo[5.1.0]octane
CID 54192713
2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
CID 85404965
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane?
The IUPAC name of 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane (CID 167079205) is 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane.
What is the SMILES notation for 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane?
The canonical SMILES for 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane is CC1OC2CCC3CCCCCC3CCC2O1.
What is the InChIKey of 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane?
The InChIKey is CXTIGXUHRXHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-16-14-9-7-12-5-3-2-4-6-13(12)8-10-15(14)17-11/h11-15H,2-10H2,1H3.
What are the key properties of 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane?
6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane has a molecular weight of 238.37 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane is sourced from PubChem (CID 167079205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).