3-(prop-2-enoxymethyl)heptane

C11H22O — CID 3530837

IUPAC3-(prop-2-enoxymethyl)heptane
SMILESC=CCOCC(CC)CCCC
InChIInChI=1S/C11H22O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyKVYWKVSTXPFMNW-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds8

About 3-(prop-2-enoxymethyl)heptane

3-(prop-2-enoxymethyl)heptane (PubChem CID 3530837) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)heptane.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)heptane
PubChem CID3530837
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-(prop-2-enoxymethyl)heptane
SMILESC=CCOCC(CC)CCCC
InChIInChI=1S/C11H22O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyKVYWKVSTXPFMNW-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
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

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane
CID 118370472
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol
CID 59734661
3-(4-ethenoxybutoxymethyl)heptane
CID 139971607
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylhexoxymethanol
CID 18783221
(4S)-4-ethyloct-1-ene
CID 129373406
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxymethyl)heptane?
The IUPAC name of 3-(prop-2-enoxymethyl)heptane (CID 3530837) is 3-(prop-2-enoxymethyl)heptane.
What is the SMILES notation for 3-(prop-2-enoxymethyl)heptane?
The canonical SMILES for 3-(prop-2-enoxymethyl)heptane is C=CCOCC(CC)CCCC.
What is the InChIKey of 3-(prop-2-enoxymethyl)heptane?
The InChIKey is KVYWKVSTXPFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 3-(prop-2-enoxymethyl)heptane?
3-(prop-2-enoxymethyl)heptane has a molecular weight of 170.30 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)heptane is sourced from PubChem (CID 3530837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).