3-(4-ethenoxybutoxymethyl)heptane

C14H28O2 — CID 139971607

IUPAC3-(4-ethenoxybutoxymethyl)heptane
SMILESC=COCCCCOCC(CC)CCCC
InChIInChI=1S/C14H28O2/c1-4-7-10-14(5-2)13-16-12-9-8-11-15-6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyCCCPHUPMSYTCJU-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.16
Rot. Bonds12

About 3-(4-ethenoxybutoxymethyl)heptane

3-(4-ethenoxybutoxymethyl)heptane (PubChem CID 139971607) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(4-ethenoxybutoxymethyl)heptane.

Molecular Properties

Compound Name3-(4-ethenoxybutoxymethyl)heptane
PubChem CID139971607
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-(4-ethenoxybutoxymethyl)heptane
SMILESC=COCCCCOCC(CC)CCCC
InChIInChI=1S/C14H28O2/c1-4-7-10-14(5-2)13-16-12-9-8-11-15-6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyCCCPHUPMSYTCJU-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
3-(prop-2-enoxymethyl)heptane
CID 3530837
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
acetic acid;3-(ethenoxymethyl)heptane
CID 174888380
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840
1-(2-ethylbutoxy)decane
CID 22002893

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenoxybutoxymethyl)heptane?
The IUPAC name of 3-(4-ethenoxybutoxymethyl)heptane (CID 139971607) is 3-(4-ethenoxybutoxymethyl)heptane.
What is the SMILES notation for 3-(4-ethenoxybutoxymethyl)heptane?
The canonical SMILES for 3-(4-ethenoxybutoxymethyl)heptane is C=COCCCCOCC(CC)CCCC.
What is the InChIKey of 3-(4-ethenoxybutoxymethyl)heptane?
The InChIKey is CCCPHUPMSYTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-10-14(5-2)13-16-12-9-8-11-15-6-3/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of 3-(4-ethenoxybutoxymethyl)heptane?
3-(4-ethenoxybutoxymethyl)heptane has a molecular weight of 228.38 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenoxybutoxymethyl)heptane is sourced from PubChem (CID 139971607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).