2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one

C16H24O3 — CID 11118947

IUPAC2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
SMILESCC1(CC[C@@H]2[C@H](C3=CCCC3=O)C2(C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3/t12-,14+/m1/s1
InChIKeyIBUZGUBLGATAOF-OCCSQVGLSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one

2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one (PubChem CID 11118947) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
PubChem CID11118947
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
SMILESCC1(CC[C@@H]2[C@H](C3=CCCC3=O)C2(C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3/t12-,14+/m1/s1
InChIKeyIBUZGUBLGATAOF-OCCSQVGLSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,5-dimethyl-6-[(1S,4R,5R,6S)-1,3,6-trimethyl-4-(3-oxopent-1-en-2-yl)-6-bicyclo[3.1.0]hex-2-enyl]pyran-4-one
CID 21771626
(3'R,3'aR)-3'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,7'-3,4,5,6-tetrahydro-2H-azulene]-1'-one
CID 11032749
2-[2,2-Dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
CID 15414495
5-[(3'aS,4'R,7'aS)-7'a-methyl-6'-prop-1-en-2-ylspiro[1,3-dioxolane-2,1'-3,3a,4,7-tetrahydro-2H-indene]-4'-yl]-2-methylpent-1-en-3-one
CID 134840802
4-Methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohex-2-en-1-one
CID 135016162
4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-2-enylcyclohex-2-en-1-one
CID 139249584
(1R,5S)-5-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 139249585
(2aS,6S,7aS,7bS)-5,5,7b-trimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-1,2,2a,6,7,7a-hexahydrocyclobuta[e]inden-3-one
CID 154720141
(1S,6R,7R)-1-methyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
CID 10707738
(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,7'-4,4a,6,8-tetrahydronaphthalene]-1'-one
CID 10754108
(7'S,7'aS)-7',7'a-dimethylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one
CID 15857892
(3R,5S,6R)-6,10-dimethyl-3-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]spiro[4.5]dec-9-en-8-one
CID 162844429

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one (CID 11118947) is 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one is CC1(CC[C@@H]2[C@H](C3=CCCC3=O)C2(C)C)OCCO1.
What is the InChIKey of 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The InChIKey is IBUZGUBLGATAOF-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11118947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).