1-(2-pentoxybut-3-enoxy)pentane

C14H28O2 — CID 19376968

IUPAC1-(2-pentoxybut-3-enoxy)pentane
SMILESC=CC(COCCCCC)OCCCCC
InChIInChI=1S/C14H28O2/c1-4-7-9-11-15-13-14(6-3)16-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyXZKOMPSJTSPVIT-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.95
Rot. Bonds12

About 1-(2-pentoxybut-3-enoxy)pentane

1-(2-pentoxybut-3-enoxy)pentane (PubChem CID 19376968) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-pentoxybut-3-enoxy)pentane.

Molecular Properties

Compound Name1-(2-pentoxybut-3-enoxy)pentane
PubChem CID19376968
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2-pentoxybut-3-enoxy)pentane
SMILESC=CC(COCCCCC)OCCCCC
InChIInChI=1S/C14H28O2/c1-4-7-9-11-15-13-14(6-3)16-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyXZKOMPSJTSPVIT-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-Ethoxyhept-6-ene
CID 13315257
(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 134882653
3-Propan-2-yloxyocta-1,7-diene
CID 11275242
3-Ethoxyocta-1,7-diene
CID 12823671
3,4-Dibutoxybut-1-ene
CID 13442992
3-Prop-2-enoxyhept-1-ene
CID 13693083
3-Hept-1-en-3-yloxyhept-1-ene
CID 17869510
2-Ethenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 18327881
3,4-Di-O-ethyl-6-deoxy-L-glucal
CID 18396268
3,4-Di-O-i-propyl-6-deoxy-L-glucal
CID 18396269
3,4-Di-O-n-propyl-6-deoxy-L-glucal
CID 18396270

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentoxybut-3-enoxy)pentane?
The IUPAC name of 1-(2-pentoxybut-3-enoxy)pentane (CID 19376968) is 1-(2-pentoxybut-3-enoxy)pentane.
What is the SMILES notation for 1-(2-pentoxybut-3-enoxy)pentane?
The canonical SMILES for 1-(2-pentoxybut-3-enoxy)pentane is C=CC(COCCCCC)OCCCCC.
What is the InChIKey of 1-(2-pentoxybut-3-enoxy)pentane?
The InChIKey is XZKOMPSJTSPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-9-11-15-13-14(6-3)16-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of 1-(2-pentoxybut-3-enoxy)pentane?
1-(2-pentoxybut-3-enoxy)pentane has a molecular weight of 228.38 g/mol, XLogP of 3.95, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentoxybut-3-enoxy)pentane is sourced from PubChem (CID 19376968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).