[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene

C19H22O — CID 101348479

IUPAC[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene
SMILESC#CCOC1(CC/C=C/c2ccccc2)CCC=C1C
InChIInChI=1S/C19H22O/c1-3-16-20-19(15-9-10-17(19)2)14-8-7-13-18-11-5-4-6-12-18/h1,4-7,10-13H,8-9,14-16H2,2H3/b13-7+
InChIKeyAZHVJOMWQVQTOO-NTUHNPAUSA-N
MW266.38 g/mol
LogP4.61
Rot. Bonds6

About [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene

[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene (PubChem CID 101348479) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene
PubChem CID101348479
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene
SMILESC#CCOC1(CC/C=C/c2ccccc2)CCC=C1C
InChIInChI=1S/C19H22O/c1-3-16-20-19(15-9-10-17(19)2)14-8-7-13-18-11-5-4-6-12-18/h1,4-7,10-13H,8-9,14-16H2,2H3/b13-7+
InChIKeyAZHVJOMWQVQTOO-NTUHNPAUSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
hex-1-en-5-ynylbenzene
CID 54176357
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
4-phenylbut-3-enyl formate
CID 91350820
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(E)-5-phenylpent-4-enal
CID 11105652
N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine
CID 103273311
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
[(E)-5,5-diethoxypent-1-enyl]benzene
CID 21423476
6-phenylhex-5-enyl formate
CID 91069626
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-enoic acid
CID 5370650

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene?
The IUPAC name of [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene (CID 101348479) is [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene.
What is the SMILES notation for [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene?
The canonical SMILES for [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene is C#CCOC1(CC/C=C/c2ccccc2)CCC=C1C.
What is the InChIKey of [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene?
The InChIKey is AZHVJOMWQVQTOO-NTUHNPAUSA-N. The full InChI is InChI=1S/C19H22O/c1-3-16-20-19(15-9-10-17(19)2)14-8-7-13-18-11-5-4-6-12-18/h1,4-7,10-13H,8-9,14-16H2,2H3/b13-7+.
What are the key properties of [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene?
[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene is sourced from PubChem (CID 101348479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).