4-methylidene-5-pentyl-1,3-dioxolan-2-one

C9H14O3 — CID 24874469

IUPAC4-methylidene-5-pentyl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCCC
InChIInChI=1S/C9H14O3/c1-3-4-5-6-8-7(2)11-9(10)12-8/h8H,2-6H2,1H3
InChIKeyLXAKSKVVUXJXEV-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.62
Rot. Bonds4

About 4-methylidene-5-pentyl-1,3-dioxolan-2-one

4-methylidene-5-pentyl-1,3-dioxolan-2-one (PubChem CID 24874469) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methylidene-5-pentyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methylidene-5-pentyl-1,3-dioxolan-2-one
PubChem CID24874469
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-methylidene-5-pentyl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCCC
InChIInChI=1S/C9H14O3/c1-3-4-5-6-8-7(2)11-9(10)12-8/h8H,2-6H2,1H3
InChIKeyLXAKSKVVUXJXEV-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.62
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

4-(4-Fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one
CID 129224265
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862
(4S,5R)-4-ethenyl-5-nonyl-1,3-dioxolan-2-one
CID 101776255
4-Hex-5-enyl-1,3-dioxolan-2-one
CID 10964943
4-Ethyl-5-methylidene-1,3-dioxolan-2-one
CID 12195928
4-Ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 15196293
4-Ethenyl-5-propyl-1,3-dioxolan-2-one
CID 15221501
6-Butyl-7-methylidene-1,3,5-trioxepane-2,4-dione
CID 17821476
4-Methylidene-5-propyl-1,3-dioxolan-2-one
CID 57483319
4-Ethenyl-5-hexyl-1,3-dioxolan-2-one
CID 68454166
4-Butyl-5-ethenyl-1,3-dioxolan-2-one
CID 68454172
4-Cyclopentyl-5-methylidene-1,3-dioxolan-2-one
CID 89425135

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-pentyl-1,3-dioxolan-2-one?
The IUPAC name of 4-methylidene-5-pentyl-1,3-dioxolan-2-one (CID 24874469) is 4-methylidene-5-pentyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methylidene-5-pentyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-methylidene-5-pentyl-1,3-dioxolan-2-one is C=C1OC(=O)OC1CCCCC.
What is the InChIKey of 4-methylidene-5-pentyl-1,3-dioxolan-2-one?
The InChIKey is LXAKSKVVUXJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-4-5-6-8-7(2)11-9(10)12-8/h8H,2-6H2,1H3.
What are the key properties of 4-methylidene-5-pentyl-1,3-dioxolan-2-one?
4-methylidene-5-pentyl-1,3-dioxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-pentyl-1,3-dioxolan-2-one is sourced from PubChem (CID 24874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).