11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane

C16H26O3 — CID 123252680

IUPAC11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane
SMILESCC1(C)CCCCCC2CC(C1)C1OC1OC1OC21
InChIInChI=1S/C16H26O3/c1-16(2)7-5-3-4-6-10-8-11(9-16)13-15(18-13)19-14-12(10)17-14/h10-15H,3-9H2,1-2H3
InChIKeyYBIDVDRCVNSIQV-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.47
Rot. Bonds

About 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane

11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane (PubChem CID 123252680) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane.

Molecular Properties

Compound Name11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane
PubChem CID123252680
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane
SMILESCC1(C)CCCCCC2CC(C1)C1OC1OC1OC21
InChIInChI=1S/C16H26O3/c1-16(2)7-5-3-4-6-10-8-11(9-16)13-15(18-13)19-14-12(10)17-14/h10-15H,3-9H2,1-2H3
InChIKeyYBIDVDRCVNSIQV-UHFFFAOYSA-N
XLogP3.47
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 155050823
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CID 90804483
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-dimethylcyclohexane;methane
CID 160770296
3-oxatricyclo[3.3.1.02,4]nonane
CID 87443945
3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane
CID 101089665
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
1,1,5-trimethylcycloundecane
CID 161434950
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
CID 123139653

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane?
The IUPAC name of 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane (CID 123252680) is 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane.
What is the SMILES notation for 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane?
The canonical SMILES for 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane is CC1(C)CCCCCC2CC(C1)C1OC1OC1OC21.
What is the InChIKey of 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane?
The InChIKey is YBIDVDRCVNSIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-16(2)7-5-3-4-6-10-8-11(9-16)13-15(18-13)19-14-12(10)17-14/h10-15H,3-9H2,1-2H3.
What are the key properties of 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane?
11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane has a molecular weight of 266.38 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane is sourced from PubChem (CID 123252680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).