3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane

C17H32O2 — CID 123644180

IUPAC3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane
SMILESCC1(C)CCCCCCCCCCCCC2OC2O1
InChIInChI=1S/C17H32O2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-16(18-15)19-17/h15-16H,3-14H2,1-2H3
InChIKeyGRHASQXPCAGKNP-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.20
Rot. Bonds

About 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane

3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane (PubChem CID 123644180) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane.

Molecular Properties

Compound Name3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane
PubChem CID123644180
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane
SMILESCC1(C)CCCCCCCCCCCCC2OC2O1
InChIInChI=1S/C17H32O2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-16(18-15)19-17/h15-16H,3-14H2,1-2H3
InChIKeyGRHASQXPCAGKNP-UHFFFAOYSA-N
XLogP5.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.20
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

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9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene
CID 90260929
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
2,2-dimethyloxane;methanamine
CID 144836185
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(3aS,9aS)-2-(bromomethyl)-2-methyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 10587607
1-methyl-7,8,9-trioxabicyclo[4.2.1]nonane
CID 12820287
2-(6,6-dimethyloxan-2-yl)acetonitrile
CID 130585691

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane?
The IUPAC name of 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane (CID 123644180) is 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane.
What is the SMILES notation for 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane?
The canonical SMILES for 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane is CC1(C)CCCCCCCCCCCCC2OC2O1.
What is the InChIKey of 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane?
The InChIKey is GRHASQXPCAGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-16(18-15)19-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane?
3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane has a molecular weight of 268.44 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane is sourced from PubChem (CID 123644180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).