2-prop-2-enoxyheptane

C10H20O — CID 142701865

IUPAC2-prop-2-enoxyheptane
SMILESC=CCOC(C)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(3)11-9-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyKQLNYHKHPVDEDH-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds7

About 2-prop-2-enoxyheptane

2-prop-2-enoxyheptane (PubChem CID 142701865) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-prop-2-enoxyheptane.

Molecular Properties

Compound Name2-prop-2-enoxyheptane
PubChem CID142701865
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-prop-2-enoxyheptane
SMILESC=CCOC(C)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(3)11-9-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyKQLNYHKHPVDEDH-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

1,1-bis(prop-2-enoxy)nonane
CID 123908723
N-ethyl-4-prop-2-enoxypentan-1-amine
CID 62442488
3-prop-2-enoxy-1-propoxybutane
CID 173418975
3-prop-2-enoxyoct-1-yne
CID 11126647
4-prop-2-enoxydecane
CID 102003307
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
2-ethoxytridecane
CID 54143367
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
propane-1,3-diol;3-tetradecan-2-yloxypropan-1-ol;tetradec-1-ene
CID 161072377

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyheptane?
The IUPAC name of 2-prop-2-enoxyheptane (CID 142701865) is 2-prop-2-enoxyheptane.
What is the SMILES notation for 2-prop-2-enoxyheptane?
The canonical SMILES for 2-prop-2-enoxyheptane is C=CCOC(C)CCCCC.
What is the InChIKey of 2-prop-2-enoxyheptane?
The InChIKey is KQLNYHKHPVDEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-10(3)11-9-5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 2-prop-2-enoxyheptane?
2-prop-2-enoxyheptane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyheptane is sourced from PubChem (CID 142701865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).