ethenoxyethene;3-methylpentane-1,5-diol

C10H20O3 — CID 19047938

IUPACethenoxyethene;3-methylpentane-1,5-diol
SMILESC=COC=C.CC(CCO)CCO
InChIInChI=1S/C6H14O2.C4H6O/c1-6(2-4-7)3-5-8;1-3-5-4-2/h6-8H,2-5H2,1H3;3-4H,1-2H2
InChIKeySWPKTOQPUBLCRA-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.68
Rot. Bonds6

About ethenoxyethene;3-methylpentane-1,5-diol

ethenoxyethene;3-methylpentane-1,5-diol (PubChem CID 19047938) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethenoxyethene;3-methylpentane-1,5-diol.

Molecular Properties

Compound Nameethenoxyethene;3-methylpentane-1,5-diol
PubChem CID19047938
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethenoxyethene;3-methylpentane-1,5-diol
SMILESC=COC=C.CC(CCO)CCO
InChIInChI=1S/C6H14O2.C4H6O/c1-6(2-4-7)3-5-8;1-3-5-4-2/h6-8H,2-5H2,1H3;3-4H,1-2H2
InChIKeySWPKTOQPUBLCRA-UHFFFAOYSA-N
XLogP1.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;3-methylpentane-1,5-diol?
The IUPAC name of ethenoxyethene;3-methylpentane-1,5-diol (CID 19047938) is ethenoxyethene;3-methylpentane-1,5-diol.
What is the SMILES notation for ethenoxyethene;3-methylpentane-1,5-diol?
The canonical SMILES for ethenoxyethene;3-methylpentane-1,5-diol is C=COC=C.CC(CCO)CCO.
What is the InChIKey of ethenoxyethene;3-methylpentane-1,5-diol?
The InChIKey is SWPKTOQPUBLCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H6O/c1-6(2-4-7)3-5-8;1-3-5-4-2/h6-8H,2-5H2,1H3;3-4H,1-2H2.
What are the key properties of ethenoxyethene;3-methylpentane-1,5-diol?
ethenoxyethene;3-methylpentane-1,5-diol has a molecular weight of 188.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;3-methylpentane-1,5-diol is sourced from PubChem (CID 19047938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).