(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one

C10H16O3 — CID 10103862

IUPAC(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@H]1CCCCC
InChIInChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1
InChIKeyNUQUFSQKUQPLLG-IUCAKERBSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds5

About (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one

(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one (PubChem CID 10103862) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
PubChem CID10103862
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@H]1CCCCC
InChIInChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1
InChIKeyNUQUFSQKUQPLLG-IUCAKERBSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
4-Methylidene-5-pentyl-1,3-dioxolan-2-one
CID 24874469
Methyl non-1-en-3-yl carbonate
CID 102291111
4-(4-Fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one
CID 129224265
Ethyl oct-1-en-3-yl carbonate
CID 15062958
(4R,6S)-4-ethenyl-6-nonyl-1,3-dioxan-2-one
CID 23657209
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
1-Dodecoxybut-3-en-2-yl methyl carbonate
CID 102200836
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
2-Hexyl-2-prop-2-enyl-1,3-dioxolane
CID 134971657
4-Decyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719701
(4S,5S)-4-ethenyl-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 11484174

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The IUPAC name of (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one (CID 10103862) is (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The canonical SMILES for (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one is C=C[C@@H]1OC(=O)O[C@H]1CCCCC.
What is the InChIKey of (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The InChIKey is NUQUFSQKUQPLLG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one is sourced from PubChem (CID 10103862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).