3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one

C17H30O3 — CID 144503975

IUPAC3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
SMILESCCCCCCCC1(CCC2CCC(=O)C2)OCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15H,2-14H2,1H3
InChIKeySYSLBZFUGGVDNK-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.24
Rot. Bonds9

About 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one

3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one (PubChem CID 144503975) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
PubChem CID144503975
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
SMILESCCCCCCCC1(CCC2CCC(=O)C2)OCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15H,2-14H2,1H3
InChIKeySYSLBZFUGGVDNK-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.24
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

3-pentylcyclopentan-1-one
CID 11040911
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
(3S)-3-(3-methyldecyl)cyclopentan-1-one
CID 142057625
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 20672787
(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
4-decylcyclohexan-1-one
CID 13479948
(3aR,4R,5S)-5-hydroxy-4-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59071377

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one (CID 144503975) is 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one is CCCCCCCC1(CCC2CCC(=O)C2)OCCO1.
What is the InChIKey of 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The InChIKey is SYSLBZFUGGVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15H,2-14H2,1H3.
What are the key properties of 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one has a molecular weight of 282.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 144503975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).