1-prop-2-enoxyheptane

C10H20O — CID 27904

IUPAC1-prop-2-enoxyheptane
SMILESC=CCOCCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBWRRFWFYPAZQMD-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds8

About 1-prop-2-enoxyheptane

1-prop-2-enoxyheptane (PubChem CID 27904) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-prop-2-enoxyheptane.

Molecular Properties

Compound Name1-prop-2-enoxyheptane
PubChem CID27904
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-prop-2-enoxyheptane
SMILESC=CCOCCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBWRRFWFYPAZQMD-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl n-octyl ether
CID 520600
Allyl n-Hexyl Ether
CID 264189
1-(Allyloxy)decane
CID 76802
1-[(2-Methyl-2-propen-1-yl)oxy]heptane
CID 59869400
Allylhexadecyl ether
CID 13037788
Allyl pentyl ether
CID 141011
1-(2-Prop-2-enoxyethoxy)octadecane
CID 159319
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1-(2-Methylprop-2-enoxy)octane
CID 10954221
1,10-Diallyloxydecane
CID 11076006
2-Prop-2-enoxyoctane
CID 14970998
3-Nonyloxy-propene
CID 13225457

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyheptane?
The IUPAC name of 1-prop-2-enoxyheptane (CID 27904) is 1-prop-2-enoxyheptane.
What is the SMILES notation for 1-prop-2-enoxyheptane?
The canonical SMILES for 1-prop-2-enoxyheptane is C=CCOCCCCCCC.
What is the InChIKey of 1-prop-2-enoxyheptane?
The InChIKey is BWRRFWFYPAZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 1-prop-2-enoxyheptane?
1-prop-2-enoxyheptane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyheptane is sourced from PubChem (CID 27904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).