1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one

C24H46O3 — CID 10905066

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC1COC(C)(C)O1
InChIInChI=1S/C24H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)20-23-21-26-24(2,3)27-23/h23H,4-21H2,1-3H3
InChIKeyKCQTYMGBADKSIK-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.36
Rot. Bonds18

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one

1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one (PubChem CID 10905066) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one
PubChem CID10905066
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC1COC(C)(C)O1
InChIInChI=1S/C24H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)20-23-21-26-24(2,3)27-23/h23H,4-21H2,1-3H3
InChIKeyKCQTYMGBADKSIK-UHFFFAOYSA-N
XLogP7.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.36
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

Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 541241
Ethyl 8-(2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl)octanoate
CID 53321944
(2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-one
CID 11119635
8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)hexan-2-one
CID 69810804
Stearic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 633404
Dodecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 541034
10-Methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione
CID 11021069
(S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl stearate
CID 13498054
1-(1,3-Dioxolan-2-yl)-3-nonanone
CID 14108506
6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-2-one
CID 101549970
1-[(4S,5R)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 121224825

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one (CID 10905066) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one is CCCCCCCCCCCCCCCCCC(=O)CC1COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one?
The InChIKey is KCQTYMGBADKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)20-23-21-26-24(2,3)27-23/h23H,4-21H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one has a molecular weight of 382.63 g/mol, XLogP of 7.36, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one is sourced from PubChem (CID 10905066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).