ethane-1,2-diol;3-methoxypent-1-ene

C8H18O3 — CID 90081952

IUPACethane-1,2-diol;3-methoxypent-1-ene
SMILESC=CC(CC)OC.OCCO
InChIInChI=1S/C6H12O.C2H6O2/c1-4-6(5-2)7-3;3-1-2-4/h4,6H,1,5H2,2-3H3;3-4H,1-2H2
InChIKeyPBYMFALJHLVURL-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.57
Rot. Bonds4

About ethane-1,2-diol;3-methoxypent-1-ene

ethane-1,2-diol;3-methoxypent-1-ene (PubChem CID 90081952) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethane-1,2-diol;3-methoxypent-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;3-methoxypent-1-ene
PubChem CID90081952
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Nameethane-1,2-diol;3-methoxypent-1-ene
SMILESC=CC(CC)OC.OCCO
InChIInChI=1S/C6H12O.C2H6O2/c1-4-6(5-2)7-3;3-1-2-4/h4,6H,1,5H2,2-3H3;3-4H,1-2H2
InChIKeyPBYMFALJHLVURL-UHFFFAOYSA-N
XLogP0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;3-methoxypent-1-ene?
The IUPAC name of ethane-1,2-diol;3-methoxypent-1-ene (CID 90081952) is ethane-1,2-diol;3-methoxypent-1-ene.
What is the SMILES notation for ethane-1,2-diol;3-methoxypent-1-ene?
The canonical SMILES for ethane-1,2-diol;3-methoxypent-1-ene is C=CC(CC)OC.OCCO.
What is the InChIKey of ethane-1,2-diol;3-methoxypent-1-ene?
The InChIKey is PBYMFALJHLVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6O2/c1-4-6(5-2)7-3;3-1-2-4/h4,6H,1,5H2,2-3H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;3-methoxypent-1-ene?
ethane-1,2-diol;3-methoxypent-1-ene has a molecular weight of 162.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;3-methoxypent-1-ene is sourced from PubChem (CID 90081952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).