(E)-1,1-diethoxyhex-2-en-4-yne

C10H16O2 — CID 5371296

IUPAC(E)-1,1-diethoxyhex-2-en-4-yne
SMILESCC#C/C=C/C(OCC)OCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,5-6H2,1-3H3/b9-8+
InChIKeyWXCVTGQDNQNCID-CMDGGOBGSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds5

About (E)-1,1-diethoxyhex-2-en-4-yne

(E)-1,1-diethoxyhex-2-en-4-yne (PubChem CID 5371296) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-1,1-diethoxyhex-2-en-4-yne.

Molecular Properties

Compound Name(E)-1,1-diethoxyhex-2-en-4-yne
PubChem CID5371296
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-1,1-diethoxyhex-2-en-4-yne
SMILESCC#C/C=C/C(OCC)OCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,5-6H2,1-3H3/b9-8+
InChIKeyWXCVTGQDNQNCID-CMDGGOBGSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
4,7-Dihydro-2-isopropyl-1,3-dioxepin
CID 79447
1,1-Diethoxy-2-butene
CID 99778
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-3-methyl-2-butene
CID 5215320
(2E)-1,1,4,4-tetramethoxybut-2-ene
CID 5862719
2-Butene, 1,1,4,4-tetramethoxy-
CID 5382783
1,3,3-Triethoxy-1-propene, (Z)-
CID 5354783
2,4-Hexadiene, 1,1-diethoxy-
CID 5369044
3-Ethoxyacrolein diethyl acetal
CID 21587
Propionaldehyde dicrotyl acetal
CID 6437580

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxyhex-2-en-4-yne?
The IUPAC name of (E)-1,1-diethoxyhex-2-en-4-yne (CID 5371296) is (E)-1,1-diethoxyhex-2-en-4-yne.
What is the SMILES notation for (E)-1,1-diethoxyhex-2-en-4-yne?
The canonical SMILES for (E)-1,1-diethoxyhex-2-en-4-yne is CC#C/C=C/C(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxyhex-2-en-4-yne?
The InChIKey is WXCVTGQDNQNCID-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,5-6H2,1-3H3/b9-8+.
What are the key properties of (E)-1,1-diethoxyhex-2-en-4-yne?
(E)-1,1-diethoxyhex-2-en-4-yne has a molecular weight of 168.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxyhex-2-en-4-yne is sourced from PubChem (CID 5371296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).