acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene

C14H18 — CID 143336737

IUPACacetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
SMILESC#C.CC/C=C(\C)c1ccccc1C
InChIInChI=1S/C12H16.C2H2/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H/b10-7+;
InChIKeyFNAREKWQAAHYRU-HCUGZAAXSA-N
MW186.30 g/mol
LogP4.06
Rot. Bonds2

About acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene

acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene (PubChem CID 143336737) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Nameacetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
PubChem CID143336737
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Nameacetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
SMILESC#C.CC/C=C(\C)c1ccccc1C
InChIInChI=1S/C12H16.C2H2/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H/b10-7+;
InChIKeyFNAREKWQAAHYRU-HCUGZAAXSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
2-[(E)-pent-2-en-2-yl]benzoic acid
CID 168936583
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
1-[(3E,5E)-5-ethenyl-6-methylocta-3,5,7-trien-4-yl]-2-methylbenzene
CID 143863076
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342

Frequently Asked Questions

What is the IUPAC name of acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene?
The IUPAC name of acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene (CID 143336737) is acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene.
What is the SMILES notation for acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene?
The canonical SMILES for acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene is C#C.CC/C=C(\C)c1ccccc1C.
What is the InChIKey of acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene?
The InChIKey is FNAREKWQAAHYRU-HCUGZAAXSA-N. The full InChI is InChI=1S/C12H16.C2H2/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H/b10-7+;.
What are the key properties of acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene?
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene has a molecular weight of 186.30 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 143336737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).