ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane

C11H20O — CID 144532117

IUPACethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane
SMILESC=C.C=C(/C=C\C)C1CO1.CC
InChIInChI=1S/C7H10O.C2H6.C2H4/c1-3-4-6(2)7-5-8-7;2*1-2/h3-4,7H,2,5H2,1H3;1-2H3;1-2H2/b4-3-;;
InChIKeyRVRDIDKZRRULHL-GSBNXNDCSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds2

About ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane

ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane (PubChem CID 144532117) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane.

Molecular Properties

Compound Nameethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane
PubChem CID144532117
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane
SMILESC=C.C=C(/C=C\C)C1CO1.CC
InChIInChI=1S/C7H10O.C2H6.C2H4/c1-3-4-6(2)7-5-8-7;2*1-2/h3-4,7H,2,5H2,1H3;1-2H3;1-2H2/b4-3-;;
InChIKeyRVRDIDKZRRULHL-GSBNXNDCSA-N
XLogP3.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
ethane;methanamine;(2S)-2-[(3E)-penta-1,3-dien-3-yl]oxirane
CID 156650142
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine
CID 166853883
2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
CID 155571324
ethane;2-methyloxirane;prop-1-ene
CID 159933828
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063
ethane;2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxymethyl]oxirane
CID 143407124
1-(oxiran-2-yl)prop-1-enyl 2-methylprop-2-enoate
CID 141001258
2-(3-methylbuta-1,3-dienyl)oxirane
CID 172817601
1-[(3Z)-penta-1,3-dien-2-yl]-1,3-dihydro-2-benzofuran-5-carbaldehyde
CID 142081440

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane?
The IUPAC name of ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane (CID 144532117) is ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane.
What is the SMILES notation for ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane?
The canonical SMILES for ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane is C=C.C=C(/C=C\C)C1CO1.CC.
What is the InChIKey of ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane?
The InChIKey is RVRDIDKZRRULHL-GSBNXNDCSA-N. The full InChI is InChI=1S/C7H10O.C2H6.C2H4/c1-3-4-6(2)7-5-8-7;2*1-2/h3-4,7H,2,5H2,1H3;1-2H3;1-2H2/b4-3-;;.
What are the key properties of ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane?
ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane has a molecular weight of 168.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane is sourced from PubChem (CID 144532117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).