7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane

C17H28O2 — CID 11817934

IUPAC7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane
SMILESC1CCC2(CC1)CC1(CCC3(CCCCC3)O1)CO2
InChIInChI=1S/C17H28O2/c1-3-7-15(8-4-1)11-12-17(19-15)13-16(18-14-17)9-5-2-6-10-16/h1-14H2
InChIKeyILNFLQWJFJXVPJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.36
Rot. Bonds

About 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane

7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane (PubChem CID 11817934) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane.

Molecular Properties

Compound Name7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane
PubChem CID11817934
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane
SMILESC1CCC2(CC1)CC1(CCC3(CCCCC3)O1)CO2
InChIInChI=1S/C17H28O2/c1-3-7-15(8-4-1)11-12-17(19-15)13-16(18-14-17)9-5-2-6-10-16/h1-14H2
InChIKeyILNFLQWJFJXVPJ-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13240757
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
2,7,11-trioxatrispiro[2.1.25.1.29.13]dodecane
CID 165154842
1,8-dioxaspiro[2.6]nonane
CID 88652146
7,11-dioxaspiro[5.6]dodecane
CID 122692865
(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane
CID 101092012
16-oxa-8-azadispiro[5.2.59.26]hexadecane
CID 65213480
methanol;4-oxaspiro[2.4]heptane
CID 144744375
6-methyl-6-propan-2-yl-4-oxaspiro[2.4]heptane
CID 144747193
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
CID 171551994
1,3-dioxaspiro[5.5]undecan-4-one
CID 12574156
2,4,8-trioxaspiro[6.6]tridecane
CID 146474220

Frequently Asked Questions

What is the IUPAC name of 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane?
The IUPAC name of 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane (CID 11817934) is 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane.
What is the SMILES notation for 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane?
The canonical SMILES for 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane is C1CCC2(CC1)CC1(CCC3(CCCCC3)O1)CO2.
What is the InChIKey of 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane?
The InChIKey is ILNFLQWJFJXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-7-15(8-4-1)11-12-17(19-15)13-16(18-14-17)9-5-2-6-10-16/h1-14H2.
What are the key properties of 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane?
7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane has a molecular weight of 264.41 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane is sourced from PubChem (CID 11817934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).