2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C16H30O6 — CID 21811784

IUPAC2-but-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CCCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O6/c1-2-3-4-16-15-21-12-11-19-8-7-17-5-6-18-9-10-20-13-14-22-16/h2,16H,1,3-15H2
InChIKeyUJJJTCXVHKCTGI-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.60
Rot. Bonds3

About 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 21811784) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-but-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID21811784
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name2-but-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CCCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O6/c1-2-3-4-16-15-21-12-11-19-8-7-17-5-6-18-9-10-20-13-14-22-16/h2,16H,1,3-15H2
InChIKeyUJJJTCXVHKCTGI-UHFFFAOYSA-N
XLogP0.60
TPSA55.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
5-[2-[2-[2-[2-(2-Pent-4-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-ene
CID 85865831
(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 134882653
2-Hex-5-enyl-1,4,7,10-tetraoxacyclododecane
CID 14406023
2-((2-ethoxyethoxy)methyl)-3,4-dihydro-2H-pyran
CID 15583444
2-(3,4-dihydro-2H-pyran-2-ylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 20276843
5-[2-[2,3-Bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene
CID 21349204
2-Oct-7-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 21835866
1-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hex-5-en-2-ol
CID 21835869
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
1,2-Bis(pent-4-enoxy)cyclohexane
CID 24957528
6-(2-Methoxyethoxy)hex-1-ene
CID 55274315

Frequently Asked Questions

What is the IUPAC name of 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 21811784) is 2-but-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane is C=CCCC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is UJJJTCXVHKCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-2-3-4-16-15-21-12-11-19-8-7-17-5-6-18-9-10-20-13-14-22-16/h2,16H,1,3-15H2.
What are the key properties of 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 318.41 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 21811784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).