1-(1,3-dioxolan-2-yl)nonan-3-one

C12H22O3 — CID 14108506

IUPAC1-(1,3-dioxolan-2-yl)nonan-3-one
SMILESCCCCCCC(=O)CCC1OCCO1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h12H,2-10H2,1H3
InChIKeyJAERQLZLOSSUKS-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.68
Rot. Bonds8

About 1-(1,3-dioxolan-2-yl)nonan-3-one

1-(1,3-dioxolan-2-yl)nonan-3-one (PubChem CID 14108506) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)nonan-3-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)nonan-3-one
PubChem CID14108506
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(1,3-dioxolan-2-yl)nonan-3-one
SMILESCCCCCCC(=O)CCC1OCCO1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h12H,2-10H2,1H3
InChIKeyJAERQLZLOSSUKS-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(1,3-Dioxolan-2-yl)octanal
CID 13164764
1-(1,3-Dioxolan-2-yl)pentan-3-one
CID 13694384
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)hexan-2-one
CID 69810804
11-(1,3-Dioxolan-2-yl)undecanal
CID 54567157
1,1-Diethoxynonan-4-one
CID 12538108
Ethyl 6-(1,3-dioxolan-2-yl)hexanoate
CID 12956804
Ethyl 7-(1,3-dioxolan-2-yl)heptanoate
CID 12956805
7-(1,3-Dioxolan-2-yl)heptan-2-one
CID 13029108
3-(1,3-Dioxolan-2-ylmethyl)octane-2,7-dione
CID 14732298
2,5-Dimethoxytetrahydrofuryl-3-butanone
CID 44719217
6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-2-one
CID 101549970
8,8-Ethylenedioxynonanal
CID 102043190

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)nonan-3-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)nonan-3-one (CID 14108506) is 1-(1,3-dioxolan-2-yl)nonan-3-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)nonan-3-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)nonan-3-one is CCCCCCC(=O)CCC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)nonan-3-one?
The InChIKey is JAERQLZLOSSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-11(13)7-8-12-14-9-10-15-12/h12H,2-10H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)nonan-3-one?
1-(1,3-dioxolan-2-yl)nonan-3-one has a molecular weight of 214.30 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)nonan-3-one is sourced from PubChem (CID 14108506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).