8-(ethoxymethoxy)oct-1-yne

C11H20O2 — CID 156529670

IUPAC8-(ethoxymethoxy)oct-1-yne
SMILESC#CCCCCCCOCOCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11-12-4-2/h1H,4-11H2,2H3
InChIKeyAVCPMPMMUGIGAT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds9

About 8-(ethoxymethoxy)oct-1-yne

8-(ethoxymethoxy)oct-1-yne (PubChem CID 156529670) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-(ethoxymethoxy)oct-1-yne.

Molecular Properties

Compound Name8-(ethoxymethoxy)oct-1-yne
PubChem CID156529670
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-(ethoxymethoxy)oct-1-yne
SMILESC#CCCCCCCOCOCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11-12-4-2/h1H,4-11H2,2H3
InChIKeyAVCPMPMMUGIGAT-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-(hexoxymethoxy)non-1-yne
CID 156529681
9-(octoxymethoxy)non-1-yne
CID 156529699
1-(pent-4-ynoxymethoxy)octane
CID 156529634
1-(but-3-ynoxymethoxy)hexane
CID 156529666
11-hexoxyundec-1-yne
CID 89349998
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724
5-(methoxymethoxy)pent-1-yne
CID 10725365
1-(prop-2-ynoxymethoxy)decane
CID 156529651
undec-10-ynoxymethoxymethylbenzene
CID 156529711
5-pent-4-ynoxypent-1-yne
CID 57020380
heptatriaconta-1,36-diyne
CID 58527209
trideca-1,12-diyne
CID 13119526

Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethoxy)oct-1-yne?
The IUPAC name of 8-(ethoxymethoxy)oct-1-yne (CID 156529670) is 8-(ethoxymethoxy)oct-1-yne.
What is the SMILES notation for 8-(ethoxymethoxy)oct-1-yne?
The canonical SMILES for 8-(ethoxymethoxy)oct-1-yne is C#CCCCCCCOCOCC.
What is the InChIKey of 8-(ethoxymethoxy)oct-1-yne?
The InChIKey is AVCPMPMMUGIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11-12-4-2/h1H,4-11H2,2H3.
What are the key properties of 8-(ethoxymethoxy)oct-1-yne?
8-(ethoxymethoxy)oct-1-yne has a molecular weight of 184.28 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethoxy)oct-1-yne is sourced from PubChem (CID 156529670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).