6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one

C17H22O3 — CID 13462752

IUPAC6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one
SMILESO=C1CCC(C2OCCO2)CCCC1c1ccccc1
InChIInChI=1S/C17H22O3/c18-16-10-9-14(17-19-11-12-20-17)7-4-8-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyVGTKSMQXFPFCGO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.29
Rot. Bonds2

About 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one

6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one (PubChem CID 13462752) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one
PubChem CID13462752
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one
SMILESO=C1CCC(C2OCCO2)CCCC1c1ccccc1
InChIInChI=1S/C17H22O3/c18-16-10-9-14(17-19-11-12-20-17)7-4-8-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyVGTKSMQXFPFCGO-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dioxolan-2-yl)cyclohexan-1-one
CID 59293787
(3R)-3-phenyloxan-4-one
CID 95165340
(3S,4aS,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 124806552
(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one
CID 11147997
(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 102517946
4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
2-cycloheptyl-4-phenylcyclohexan-1-one
CID 82928864
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
(2E,7R)-2-benzylidene-7-phenylcycloheptan-1-one
CID 139039504
1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
CID 24975573
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
(4S)-4-phenyloxolane-2,3-dione
CID 129383036

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one (CID 13462752) is 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one is O=C1CCC(C2OCCO2)CCCC1c1ccccc1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one?
The InChIKey is VGTKSMQXFPFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-16-10-9-14(17-19-11-12-20-17)7-4-8-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2.
What are the key properties of 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one?
6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one has a molecular weight of 274.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one is sourced from PubChem (CID 13462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).