benzene;1-methoxyprop-1-ene

C10H14O — CID 158604607

IUPACbenzene;1-methoxyprop-1-ene
SMILESCC=COC.c1ccccc1
InChIInChI=1S/C6H6.C4H8O/c1-2-4-6-5-3-1;1-3-4-5-2/h1-6H;3-4H,1-2H3
InChIKeyHWBDKGKUTYUUNM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.85
Rot. Bonds1

About benzene;1-methoxyprop-1-ene

benzene;1-methoxyprop-1-ene (PubChem CID 158604607) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is benzene;1-methoxyprop-1-ene.

Molecular Properties

Compound Namebenzene;1-methoxyprop-1-ene
PubChem CID158604607
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namebenzene;1-methoxyprop-1-ene
SMILESCC=COC.c1ccccc1
InChIInChI=1S/C6H6.C4H8O/c1-2-4-6-5-3-1;1-3-4-5-2/h1-6H;3-4H,1-2H3
InChIKeyHWBDKGKUTYUUNM-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzene;1-methoxyprop-1-ene?
The IUPAC name of benzene;1-methoxyprop-1-ene (CID 158604607) is benzene;1-methoxyprop-1-ene.
What is the SMILES notation for benzene;1-methoxyprop-1-ene?
The canonical SMILES for benzene;1-methoxyprop-1-ene is CC=COC.c1ccccc1.
What is the InChIKey of benzene;1-methoxyprop-1-ene?
The InChIKey is HWBDKGKUTYUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H8O/c1-2-4-6-5-3-1;1-3-4-5-2/h1-6H;3-4H,1-2H3.
What are the key properties of benzene;1-methoxyprop-1-ene?
benzene;1-methoxyprop-1-ene has a molecular weight of 150.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-methoxyprop-1-ene is sourced from PubChem (CID 158604607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).