(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one

C14H24O3 — CID 10999129

IUPAC(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one
SMILESCC(=O)CC[C@H](CC=C(C)C)C1(C)OCCO1
InChIInChI=1S/C14H24O3/c1-11(2)5-7-13(8-6-12(3)15)14(4)16-9-10-17-14/h5,13H,6-10H2,1-4H3/t13-/m0/s1
InChIKeyJWFHPBZKTCNVDT-ZDUSSCGKSA-N
MW240.34 g/mol
LogP3.09
Rot. Bonds6

About (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one

(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one (PubChem CID 10999129) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one.

Molecular Properties

Compound Name(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one
PubChem CID10999129
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one
SMILESCC(=O)CC[C@H](CC=C(C)C)C1(C)OCCO1
InChIInChI=1S/C14H24O3/c1-11(2)5-7-13(8-6-12(3)15)14(4)16-9-10-17-14/h5,13H,6-10H2,1-4H3/t13-/m0/s1
InChIKeyJWFHPBZKTCNVDT-ZDUSSCGKSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
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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Launch Full Analysis

Related Compounds

6-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 44191057
(1S,5S)-1,2-dimethyl-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopent-2-ene-1-carbaldehyde
CID 134895225
4-Methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohex-2-en-1-one
CID 135016162
4-[1,3]Dioxolan-2-yl-3,4-dimethyl-cyclohex-2-enone
CID 552123
(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one
CID 10426302
4-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methylcyclopent-2-en-1-one
CID 121224286
(Z)-1-(1,4-dioxaspiro[4.4]nonan-8-yl)pent-2-en-1-one
CID 143725953
1-[(6S,8E)-8-ethylidene-1,4-dioxaspiro[4.5]decan-6-yl]propan-2-one
CID 10933111
(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal
CID 11322785
8-[(E)-but-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one
CID 11820428
8-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one
CID 71327322
2,6-Dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one
CID 71404461

Frequently Asked Questions

What is the IUPAC name of (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one?
The IUPAC name of (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one (CID 10999129) is (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one.
What is the SMILES notation for (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one?
The canonical SMILES for (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one is CC(=O)CC[C@H](CC=C(C)C)C1(C)OCCO1.
What is the InChIKey of (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one?
The InChIKey is JWFHPBZKTCNVDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)5-7-13(8-6-12(3)15)14(4)16-9-10-17-14/h5,13H,6-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one?
(5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one has a molecular weight of 240.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-methyl-5-(2-methyl-1,3-dioxolan-2-yl)non-7-en-2-one is sourced from PubChem (CID 10999129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).