1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone

C11H16O3 — CID 14781075

IUPAC1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone
SMILESCC(=O)C1CC2CC1CC21OCCO1
InChIInChI=1S/C11H16O3/c1-7(12)10-5-9-4-8(10)6-11(9)13-2-3-14-11/h8-10H,2-6H2,1H3
InChIKeyIGKKYTSWZWYPOV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds1

About 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone

1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone (PubChem CID 14781075) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone.

Molecular Properties

Compound Name1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone
PubChem CID14781075
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone
SMILESCC(=O)C1CC2CC1CC21OCCO1
InChIInChI=1S/C11H16O3/c1-7(12)10-5-9-4-8(10)6-11(9)13-2-3-14-11/h8-10H,2-6H2,1H3
InChIKeyIGKKYTSWZWYPOV-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,4R)-spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-5-one
CID 130833210
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one
CID 12467963
(1R,4S)-(-)-1,7,7-Trimethyl-3,3-ethylenedioxybicyclo-[2.2.1]heptan-2-one
CID 11252806
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-3-one, 4,7,7-trimethyl-
CID 567209
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-3-one, 1,7,7-trimethyl-
CID 574765
(3'aR,7'aS)-4',4',7'a-trimethylspiro[1,3-dioxolane-2,5'-3,3a,6,7-tetrahydro-2H-indene]-1'-one
CID 10922603
Methyl spiro[1,3-dioxolane-2,5'-norbornane]-2'-carboxylate
CID 14781072
methyl (1'S,2'S,4'S)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-carboxylate
CID 170305679
(3'R,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 62706299
(3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 62706300
1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone
CID 71518305
(1'S,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-one
CID 99645709

Frequently Asked Questions

What is the IUPAC name of 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone?
The IUPAC name of 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone (CID 14781075) is 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone.
What is the SMILES notation for 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone?
The canonical SMILES for 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone is CC(=O)C1CC2CC1CC21OCCO1.
What is the InChIKey of 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone?
The InChIKey is IGKKYTSWZWYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(12)10-5-9-4-8(10)6-11(9)13-2-3-14-11/h8-10H,2-6H2,1H3.
What are the key properties of 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone?
1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone has a molecular weight of 196.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-ylethanone is sourced from PubChem (CID 14781075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).