ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene

C14H18O — CID 142857117

IUPACethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
SMILESC=C.C=C(/C=C\C)Oc1cccc(C)c1
InChIInChI=1S/C12H14O.C2H4/c1-4-6-11(3)13-12-8-5-7-10(2)9-12;1-2/h4-9H,3H2,1-2H3;1-2H2/b6-4-;
InChIKeyKRIPMBXNWMESDI-YHSAGPEESA-N
MW202.30 g/mol
LogP4.27
Rot. Bonds3

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

ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene (PubChem CID 142857117) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene.

Molecular Properties

Compound Nameethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
PubChem CID142857117
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Nameethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
SMILESC=C.C=C(/C=C\C)Oc1cccc(C)c1
InChIInChI=1S/C12H14O.C2H4/c1-4-6-11(3)13-12-8-5-7-10(2)9-12;1-2/h4-9H,3H2,1-2H3;1-2H2/b6-4-;
InChIKeyKRIPMBXNWMESDI-YHSAGPEESA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide
CID 142007343
1-methyl-3-[(Z)-prop-1-enoxy]benzene
CID 643746
(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
CID 142985984
(3-methylphenyl) 3,3-dimethyl-2-methylidenebutanoate
CID 139998257
ethane;1-methyl-3-[(E)-prop-1-enoxy]benzene;prop-1-ene
CID 143800942
(3-methylphenyl) 3-aminopropanoate
CID 82111471
1-methyl-3-[(1E)-1-phenylpenta-1,4-dienoxy]benzene
CID 135062070
bis(3-methylphenyl) 2-methylidenebutanedioate
CID 71403365
1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
CID 91209223
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482
3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
CID 142867321

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene?
The IUPAC name of ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene (CID 142857117) is ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene.
What is the SMILES notation for ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene?
The canonical SMILES for ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene is C=C.C=C(/C=C\C)Oc1cccc(C)c1.
What is the InChIKey of ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene?
The InChIKey is KRIPMBXNWMESDI-YHSAGPEESA-N. The full InChI is InChI=1S/C12H14O.C2H4/c1-4-6-11(3)13-12-8-5-7-10(2)9-12;1-2/h4-9H,3H2,1-2H3;1-2H2/b6-4-;.
What are the key properties of ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene?
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene has a molecular weight of 202.30 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene is sourced from PubChem (CID 142857117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).