spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]

C19H34O2 — CID 91594454

IUPACspiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
SMILESC1CCCC2CC2CCCCCCC2(CCC1)OCCO2
InChIInChI=1S/C19H34O2/c1-2-6-10-17-16-18(17)11-7-3-5-9-13-19(12-8-4-1)20-14-15-21-19/h17-18H,1-16H2
InChIKeyKILHLZIUNXEKPR-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.45
Rot. Bonds

About spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]

spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane] (PubChem CID 91594454) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
PubChem CID91594454
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Namespiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
SMILESC1CCCC2CC2CCCCCCC2(CCC1)OCCO2
InChIInChI=1S/C19H34O2/c1-2-6-10-17-16-18(17)11-7-3-5-9-13-19(12-8-4-1)20-14-15-21-19/h17-18H,1-16H2
InChIKeyKILHLZIUNXEKPR-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166816982
4,9-dioxaspiro[2.6]nonane
CID 68651979
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
CID 159099716
CID 159099716

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]?
The IUPAC name of spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane] (CID 91594454) is spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane].
What is the SMILES notation for spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]?
The canonical SMILES for spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane] is C1CCCC2CC2CCCCCCC2(CCC1)OCCO2.
What is the InChIKey of spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]?
The InChIKey is KILHLZIUNXEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-6-10-17-16-18(17)11-7-3-5-9-13-19(12-8-4-1)20-14-15-21-19/h17-18H,1-16H2.
What are the key properties of spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]?
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane] has a molecular weight of 294.48 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane] is sourced from PubChem (CID 91594454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).