[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate

C11H18O4 — CID 139420667

IUPAC[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC[C@H](C)OCC1CCCO1
InChIInChI=1S/C11H18O4/c1-3-11(12)15-7-9(2)14-8-10-5-4-6-13-10/h3,9-10H,1,4-8H2,2H3/t9-,10?/m0/s1
InChIKeyYBVULDCRYOBMQM-RGURZIINSA-N
MW214.26 g/mol
LogP1.30
Rot. Bonds6

About [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate

[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate (PubChem CID 139420667) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
PubChem CID139420667
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC[C@H](C)OCC1CCCO1
InChIInChI=1S/C11H18O4/c1-3-11(12)15-7-9(2)14-8-10-5-4-6-13-10/h3,9-10H,1,4-8H2,2H3/t9-,10?/m0/s1
InChIKeyYBVULDCRYOBMQM-RGURZIINSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
4-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) (E)-but-2-enedioate
CID 91695848
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
2-methyl-4-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)pentanamide
CID 64706325
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethoxy)pentanoate
CID 64708810
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate?
The IUPAC name of [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate (CID 139420667) is [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate.
What is the SMILES notation for [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate?
The canonical SMILES for [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate is C=CC(=O)OC[C@H](C)OCC1CCCO1.
What is the InChIKey of [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate?
The InChIKey is YBVULDCRYOBMQM-RGURZIINSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-11(12)15-7-9(2)14-8-10-5-4-6-13-10/h3,9-10H,1,4-8H2,2H3/t9-,10?/m0/s1.
What are the key properties of [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate?
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate is sourced from PubChem (CID 139420667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).