2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne

C14H22O2 — CID 14450591

IUPAC2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne
SMILESC=CCOC(C)(C)C#CC(C)(C)OCC=C
InChIInChI=1S/C14H22O2/c1-7-11-15-13(3,4)9-10-14(5,6)16-12-8-2/h7-8H,1-2,11-12H2,3-6H3
InChIKeyHPZLWVJKPRPBIC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.95
Rot. Bonds6

About 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne

2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne (PubChem CID 14450591) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne.

Molecular Properties

Compound Name2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne
PubChem CID14450591
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne
SMILESC=CCOC(C)(C)C#CC(C)(C)OCC=C
InChIInChI=1S/C14H22O2/c1-7-11-15-13(3,4)9-10-14(5,6)16-12-8-2/h7-8H,1-2,11-12H2,3-6H3
InChIKeyHPZLWVJKPRPBIC-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allyl-ethynyldimethylcarbinol
CID 13332059
1-Prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne
CID 10752161
1-But-2-ynoxy-4-prop-2-enoxybut-2-yne
CID 85881677
1,8-Bis(prop-2-enoxy)octa-3,5-diyne
CID 85945224
1-(2-Methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne
CID 101408857
1-(4-Prop-2-enoxybut-2-ynoxy)hept-2-yne
CID 102285339
triethyl-[(Z)-5-methoxy-2-prop-2-enoxypent-1-en-3-ynyl]germane
CID 134922041
[(Z)-5-methoxy-2-prop-2-enoxypent-1-en-3-ynyl]-trimethylgermane
CID 134922115
[(Z)-5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-ynyl]-trimethylgermane
CID 134922210
5,5-Dimethyl-2-prop-2-enoxyhex-1-en-3-yne
CID 134922243
5-Prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne
CID 134981888
5-Methoxy-2-prop-2-enoxypent-1-en-3-yne
CID 134989006

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne?
The IUPAC name of 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne (CID 14450591) is 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne.
What is the SMILES notation for 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne?
The canonical SMILES for 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne is C=CCOC(C)(C)C#CC(C)(C)OCC=C.
What is the InChIKey of 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne?
The InChIKey is HPZLWVJKPRPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-7-11-15-13(3,4)9-10-14(5,6)16-12-8-2/h7-8H,1-2,11-12H2,3-6H3.
What are the key properties of 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne?
2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne has a molecular weight of 222.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-bis(prop-2-enoxy)hex-3-yne is sourced from PubChem (CID 14450591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).