(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one

C16H24O3 — CID 11254090

IUPAC(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one
SMILESCC1=CCC[C@H](C)[C@]12CC(C1(C)OCCO1)CC2=O
InChIInChI=1S/C16H24O3/c1-11-5-4-6-12(2)16(11)10-13(9-14(16)17)15(3)18-7-8-19-15/h5,12-13H,4,6-10H2,1-3H3/t12-,13?,16-/m0/s1
InChIKeyPYGCEKUGRGAPOT-BSBHGOPBSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds1

About (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one

(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one (PubChem CID 11254090) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one.

Molecular Properties

Compound Name(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one
PubChem CID11254090
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one
SMILESCC1=CCC[C@H](C)[C@]12CC(C1(C)OCCO1)CC2=O
InChIInChI=1S/C16H24O3/c1-11-5-4-6-12(2)16(11)10-13(9-14(16)17)15(3)18-7-8-19-15/h5,12-13H,4,6-10H2,1-3H3/t12-,13?,16-/m0/s1
InChIKeyPYGCEKUGRGAPOT-BSBHGOPBSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one?
The IUPAC name of (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one (CID 11254090) is (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one.
What is the SMILES notation for (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one?
The canonical SMILES for (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one is CC1=CCC[C@H](C)[C@]12CC(C1(C)OCCO1)CC2=O.
What is the InChIKey of (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one?
The InChIKey is PYGCEKUGRGAPOT-BSBHGOPBSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-5-4-6-12(2)16(11)10-13(9-14(16)17)15(3)18-7-8-19-15/h5,12-13H,4,6-10H2,1-3H3/t12-,13?,16-/m0/s1.
What are the key properties of (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one?
(5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6,10-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[4.5]dec-9-en-4-one is sourced from PubChem (CID 11254090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).