acetylene;ethane;(Z)-3-ethenoxyhex-3-ene

C12H22O — CID 143386947

IUPACacetylene;ethane;(Z)-3-ethenoxyhex-3-ene
SMILESC#C.C=CO/C(=C\CC)CC.CC
InChIInChI=1S/C8H14O.C2H6.C2H2/c1-4-7-8(5-2)9-6-3;2*1-2/h6-7H,3-5H2,1-2H3;1-2H3;1-2H/b8-7-;;
InChIKeyYRZDUJIZQSAQQP-OTMFCZTRSA-N
MW182.31 g/mol
LogP4.13
Rot. Bonds4

About acetylene;ethane;(Z)-3-ethenoxyhex-3-ene

acetylene;ethane;(Z)-3-ethenoxyhex-3-ene (PubChem CID 143386947) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is acetylene;ethane;(Z)-3-ethenoxyhex-3-ene.

Molecular Properties

Compound Nameacetylene;ethane;(Z)-3-ethenoxyhex-3-ene
PubChem CID143386947
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nameacetylene;ethane;(Z)-3-ethenoxyhex-3-ene
SMILESC#C.C=CO/C(=C\CC)CC.CC
InChIInChI=1S/C8H14O.C2H6.C2H2/c1-4-7-8(5-2)9-6-3;2*1-2/h6-7H,3-5H2,1-2H3;1-2H3;1-2H/b8-7-;;
InChIKeyYRZDUJIZQSAQQP-OTMFCZTRSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;(Z)-3-ethenoxyhex-3-ene?
The IUPAC name of acetylene;ethane;(Z)-3-ethenoxyhex-3-ene (CID 143386947) is acetylene;ethane;(Z)-3-ethenoxyhex-3-ene.
What is the SMILES notation for acetylene;ethane;(Z)-3-ethenoxyhex-3-ene?
The canonical SMILES for acetylene;ethane;(Z)-3-ethenoxyhex-3-ene is C#C.C=CO/C(=C\CC)CC.CC.
What is the InChIKey of acetylene;ethane;(Z)-3-ethenoxyhex-3-ene?
The InChIKey is YRZDUJIZQSAQQP-OTMFCZTRSA-N. The full InChI is InChI=1S/C8H14O.C2H6.C2H2/c1-4-7-8(5-2)9-6-3;2*1-2/h6-7H,3-5H2,1-2H3;1-2H3;1-2H/b8-7-;;.
What are the key properties of acetylene;ethane;(Z)-3-ethenoxyhex-3-ene?
acetylene;ethane;(Z)-3-ethenoxyhex-3-ene has a molecular weight of 182.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;(Z)-3-ethenoxyhex-3-ene is sourced from PubChem (CID 143386947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).