4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid

C10H18O5 — CID 70376584

IUPAC4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCCCC1COCO1
InChIInChI=1S/C7H14O3.C3H4O2/c8-4-2-1-3-7-5-9-6-10-7;1-2-3(4)5/h7-8H,1-6H2;2H,1H2,(H,4,5)
InChIKeyWTAUPTADVIHBJI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.78
Rot. Bonds5

About 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid

4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid (PubChem CID 70376584) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid
PubChem CID70376584
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCCCC1COCO1
InChIInChI=1S/C7H14O3.C3H4O2/c8-4-2-1-3-7-5-9-6-10-7;1-2-3(4)5/h7-8H,1-6H2;2H,1H2,(H,4,5)
InChIKeyWTAUPTADVIHBJI-UHFFFAOYSA-N
XLogP0.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
CID 146306901
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
octadecan-1-ol;prop-2-enoic acid
CID 88814637
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
hexadecan-1-ol;bis(prop-2-enoic acid)
CID 175738657
4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
CID 175102290
butan-1-ol;prop-2-enoic acid
CID 18402454
benzoic acid;3-(oxiran-2-yl)propan-1-ol
CID 71324796
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid?
The IUPAC name of 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid (CID 70376584) is 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid?
The canonical SMILES for 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid is C=CC(=O)O.OCCCCC1COCO1.
What is the InChIKey of 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid?
The InChIKey is WTAUPTADVIHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C3H4O2/c8-4-2-1-3-7-5-9-6-10-7;1-2-3(4)5/h7-8H,1-6H2;2H,1H2,(H,4,5).
What are the key properties of 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid?
4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 70376584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).