ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine

C14H24O2 — CID 143010385

IUPACethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine
SMILESC=C/C(=C\C1=C(C)OCCO1)CCC.CC
InChIInChI=1S/C12H18O2.C2H6/c1-4-6-11(5-2)9-12-10(3)13-7-8-14-12;1-2/h5,9H,2,4,6-8H2,1,3H3;1-2H3/b11-9+;
InChIKeyMVZAZJJXIWQSIF-LBEJWNQZSA-N
MW224.34 g/mol
LogP4.20
Rot. Bonds4

About ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine

ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine (PubChem CID 143010385) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Nameethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine
PubChem CID143010385
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine
SMILESC=C/C(=C\C1=C(C)OCCO1)CCC.CC
InChIInChI=1S/C12H18O2.C2H6/c1-4-6-11(5-2)9-12-10(3)13-7-8-14-12;1-2/h5,9H,2,4,6-8H2,1,3H3;1-2H3/b11-9+;
InChIKeyMVZAZJJXIWQSIF-LBEJWNQZSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
(2S)-2-methyl-6-[(2S)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 10921415
Methoxydimethyloctadiene
CID 87220842
1-fluoro-3-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 134389449
(3E,5Z)-3-(fluoromethyl)-4-(2-methoxyethoxy)octa-3,5-diene
CID 145498388
(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
CID 155119673
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran
CID 167223083
4-Fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
CID 169135542
(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
CID 11355996
(2E,4Z)-4-ethoxydeca-2,4-diene
CID 13863848

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine (CID 143010385) is ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine is C=C/C(=C\C1=C(C)OCCO1)CCC.CC.
What is the InChIKey of ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine?
The InChIKey is MVZAZJJXIWQSIF-LBEJWNQZSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-4-6-11(5-2)9-12-10(3)13-7-8-14-12;1-2/h5,9H,2,4,6-8H2,1,3H3;1-2H3/b11-9+;.
What are the key properties of ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine?
ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine has a molecular weight of 224.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(Z)-2-ethenylpent-1-enyl]-6-methyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 143010385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).