acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene

C19H24O — CID 142415352

IUPACacetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene
SMILESC#C.C/C=C(C)\C=C/COc1ccc(C2CCC2)cc1
InChIInChI=1S/C17H22O.C2H2/c1-3-14(2)6-5-13-18-17-11-9-16(10-12-17)15-7-4-8-15;1-2/h3,5-6,9-12,15H,4,7-8,13H2,1-2H3;1-2H/b6-5-,14-3-;
InChIKeyUHISAANKPIWBDD-CHNKTMFPSA-N
MW268.40 g/mol
LogP5.10
Rot. Bonds5

About acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene

acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene (PubChem CID 142415352) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene.

Molecular Properties

Compound Nameacetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene
PubChem CID142415352
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Nameacetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene
SMILESC#C.C/C=C(C)\C=C/COc1ccc(C2CCC2)cc1
InChIInChI=1S/C17H22O.C2H2/c1-3-14(2)6-5-13-18-17-11-9-16(10-12-17)15-7-4-8-15;1-2/h3,5-6,9-12,15H,4,7-8,13H2,1-2H3;1-2H/b6-5-,14-3-;
InChIKeyUHISAANKPIWBDD-CHNKTMFPSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
CID 170842005
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660
4-(4-ethoxyphenyl)piperidine
CID 21495191
(E)-4-[4-(2-oxopropyl)phenoxy]but-2-enoic acid
CID 115493793
1-cyclohexyl-4-ethenoxybenzene
CID 67464363
1-[1,1-bis(4-prop-2-ynoxyphenyl)ethyl]-4-cyclohexylbenzene
CID 156628512

Frequently Asked Questions

What is the IUPAC name of acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene?
The IUPAC name of acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene (CID 142415352) is acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene.
What is the SMILES notation for acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene?
The canonical SMILES for acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene is C#C.C/C=C(C)\C=C/COc1ccc(C2CCC2)cc1.
What is the InChIKey of acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene?
The InChIKey is UHISAANKPIWBDD-CHNKTMFPSA-N. The full InChI is InChI=1S/C17H22O.C2H2/c1-3-14(2)6-5-13-18-17-11-9-16(10-12-17)15-7-4-8-15;1-2/h3,5-6,9-12,15H,4,7-8,13H2,1-2H3;1-2H/b6-5-,14-3-;.
What are the key properties of acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene?
acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene has a molecular weight of 268.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-cyclobutyl-4-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]benzene is sourced from PubChem (CID 142415352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).