1,8-dioxacyclotetradeca-4,11-diyne

C12H16O2 — CID 15811836

IUPAC1,8-dioxacyclotetradeca-4,11-diyne
SMILESC1#CCCOCCC#CCCOCC1
InChIInChI=1S/C12H16O2/c1-2-6-10-14-12-8-4-3-7-11-13-9-5-1/h5-12H2
InChIKeyCCZJNODPVPHWHL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.60
Rot. Bonds

About 1,8-dioxacyclotetradeca-4,11-diyne

1,8-dioxacyclotetradeca-4,11-diyne (PubChem CID 15811836) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,8-dioxacyclotetradeca-4,11-diyne.

Molecular Properties

Compound Name1,8-dioxacyclotetradeca-4,11-diyne
PubChem CID15811836
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,8-dioxacyclotetradeca-4,11-diyne
SMILESC1#CCCOCCC#CCCOCC1
InChIInChI=1S/C12H16O2/c1-2-6-10-14-12-8-4-3-7-11-13-9-5-1/h5-12H2
InChIKeyCCZJNODPVPHWHL-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyne, 1,4-bis(2-propynyloxy)-
CID 10888229
1,6-Dioxacyclodeca-3,8-diyne
CID 138774
1,4-Dipropoxybut-2-yne
CID 3017958
2-Pentyne, 1,5-bis(2-propynyloxy)-
CID 11389709
1,8-Dimethoxyocta-2,6-diyne
CID 12635231
1,4-Diethoxybut-2-yne
CID 242999
1,4-Bis(but-2-ynoxy)but-2-yne
CID 12089223
1-Ethoxyhex-3-yne
CID 12453678
Dipent-2-ynyl ether
CID 14092318
3-Butinylether
CID 15811834
6-(4-Hexa-2,5-diynoxybut-2-ynoxy)hexa-1,4-diyne
CID 16079462
1-(3-Ethoxyprop-2-ynoxy)but-2-yne
CID 102347167

Frequently Asked Questions

What is the IUPAC name of 1,8-dioxacyclotetradeca-4,11-diyne?
The IUPAC name of 1,8-dioxacyclotetradeca-4,11-diyne (CID 15811836) is 1,8-dioxacyclotetradeca-4,11-diyne.
What is the SMILES notation for 1,8-dioxacyclotetradeca-4,11-diyne?
The canonical SMILES for 1,8-dioxacyclotetradeca-4,11-diyne is C1#CCCOCCC#CCCOCC1.
What is the InChIKey of 1,8-dioxacyclotetradeca-4,11-diyne?
The InChIKey is CCZJNODPVPHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-6-10-14-12-8-4-3-7-11-13-9-5-1/h5-12H2.
What are the key properties of 1,8-dioxacyclotetradeca-4,11-diyne?
1,8-dioxacyclotetradeca-4,11-diyne has a molecular weight of 192.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxacyclotetradeca-4,11-diyne is sourced from PubChem (CID 15811836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).