1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene

C21H28 — CID 145339177

IUPAC1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C1=CCCC=C1)c1ccc(CCC)cc1
InChIInChI=1S/C17H20.C4H8/c1-3-7-15-10-12-17(13-11-15)14(2)16-8-5-4-6-9-16;1-4(2)3/h5,8-13H,2-4,6-7H2,1H3;1H2,2-3H3
InChIKeyLZLIPTMCWLPOHY-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.51
Rot. Bonds4

About 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene

1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene (PubChem CID 145339177) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene.

Molecular Properties

Compound Name1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
PubChem CID145339177
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C1=CCCC=C1)c1ccc(CCC)cc1
InChIInChI=1S/C17H20.C4H8/c1-3-7-15-10-12-17(13-11-15)14(2)16-8-5-4-6-9-16;1-4(2)3/h5,8-13H,2-4,6-7H2,1H3;1H2,2-3H3
InChIKeyLZLIPTMCWLPOHY-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
CID 138486357
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 145350320
2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene
CID 143141723
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
1-[1-(4-propylphenyl)ethenyl]azetidine
CID 143277850
[4-(cyclohexa-1,5-diene-1-carbonyl)phenyl] 2-methylprop-2-enoate
CID 69301341
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
2-methyl-1-(4-propylphenyl)prop-1-en-1-amine
CID 170745986
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene
CID 143872208

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene?
The IUPAC name of 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene (CID 145339177) is 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene.
What is the SMILES notation for 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene?
The canonical SMILES for 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene is C=C(C)C.C=C(C1=CCCC=C1)c1ccc(CCC)cc1.
What is the InChIKey of 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene?
The InChIKey is LZLIPTMCWLPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C4H8/c1-3-7-15-10-12-17(13-11-15)14(2)16-8-5-4-6-9-16;1-4(2)3/h5,8-13H,2-4,6-7H2,1H3;1H2,2-3H3.
What are the key properties of 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene?
1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene has a molecular weight of 280.46 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene is sourced from PubChem (CID 145339177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).