buta-1,3-diene;1-pentoxypentane

C14H28O — CID 87924219

IUPACbuta-1,3-diene;1-pentoxypentane
SMILESC=CC=C.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C4H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h3-10H2,1-2H3;3-4H,1-2H2
InChIKeyBASHIPZXOMOGHR-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.74
Rot. Bonds9

About buta-1,3-diene;1-pentoxypentane

buta-1,3-diene;1-pentoxypentane (PubChem CID 87924219) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is buta-1,3-diene;1-pentoxypentane.

Molecular Properties

Compound Namebuta-1,3-diene;1-pentoxypentane
PubChem CID87924219
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Namebuta-1,3-diene;1-pentoxypentane
SMILESC=CC=C.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C4H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h3-10H2,1-2H3;3-4H,1-2H2
InChIKeyBASHIPZXOMOGHR-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
ethene;1-octoxyoctane;hydrate
CID 174394810
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;1-pentoxypentane?
The IUPAC name of buta-1,3-diene;1-pentoxypentane (CID 87924219) is buta-1,3-diene;1-pentoxypentane.
What is the SMILES notation for buta-1,3-diene;1-pentoxypentane?
The canonical SMILES for buta-1,3-diene;1-pentoxypentane is C=CC=C.CCCCCOCCCCC.
What is the InChIKey of buta-1,3-diene;1-pentoxypentane?
The InChIKey is BASHIPZXOMOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h3-10H2,1-2H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;1-pentoxypentane?
buta-1,3-diene;1-pentoxypentane has a molecular weight of 212.38 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;1-pentoxypentane is sourced from PubChem (CID 87924219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).