3-prop-1-en-2-yloxyheptane

C10H20O — CID 121486532

IUPAC3-prop-1-en-2-yloxyheptane
SMILESC=C(C)OC(CC)CCCC
InChIInChI=1S/C10H20O/c1-5-7-8-10(6-2)11-9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyYHFRLBYQLUUZCQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds6

About 3-prop-1-en-2-yloxyheptane

3-prop-1-en-2-yloxyheptane (PubChem CID 121486532) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-prop-1-en-2-yloxyheptane.

Molecular Properties

Compound Name3-prop-1-en-2-yloxyheptane
PubChem CID121486532
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-prop-1-en-2-yloxyheptane
SMILESC=C(C)OC(CC)CCCC
InChIInChI=1S/C10H20O/c1-5-7-8-10(6-2)11-9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyYHFRLBYQLUUZCQ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
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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Related Compounds

heptan-3-yl 2-methylidenebutanoate
CID 156770774
diheptan-3-yl carbonate
CID 87131933
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
trimethyl(3-prop-1-en-2-yloxynonoxy)silane
CID 134996549
[(3S)-nonan-3-yl] acetate
CID 76967958
octan-3-yl 2-fluoroprop-2-enoate
CID 177306733
diheptan-3-yl nonanedioate
CID 91752130
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
diheptan-3-yl benzene-1,4-dicarboxylate
CID 66810889
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
henicosan-3-yl hydrogen carbonate
CID 87300438

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yloxyheptane?
The IUPAC name of 3-prop-1-en-2-yloxyheptane (CID 121486532) is 3-prop-1-en-2-yloxyheptane.
What is the SMILES notation for 3-prop-1-en-2-yloxyheptane?
The canonical SMILES for 3-prop-1-en-2-yloxyheptane is C=C(C)OC(CC)CCCC.
What is the InChIKey of 3-prop-1-en-2-yloxyheptane?
The InChIKey is YHFRLBYQLUUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-8-10(6-2)11-9(3)4/h10H,3,5-8H2,1-2,4H3.
What are the key properties of 3-prop-1-en-2-yloxyheptane?
3-prop-1-en-2-yloxyheptane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yloxyheptane is sourced from PubChem (CID 121486532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).