(3-ethyl-4-methylpent-4-enyl)benzene

C14H20 — CID 123220776

IUPAC(3-ethyl-4-methylpent-4-enyl)benzene
SMILESC=C(C)C(CC)CCc1ccccc1
InChIInChI=1S/C14H20/c1-4-14(12(2)3)11-10-13-8-6-5-7-9-13/h5-9,14H,2,4,10-11H2,1,3H3
InChIKeyFEDZYPHCDJERCK-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.22
Rot. Bonds5

About (3-ethyl-4-methylpent-4-enyl)benzene

(3-ethyl-4-methylpent-4-enyl)benzene (PubChem CID 123220776) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3-ethyl-4-methylpent-4-enyl)benzene.

Molecular Properties

Compound Name(3-ethyl-4-methylpent-4-enyl)benzene
PubChem CID123220776
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3-ethyl-4-methylpent-4-enyl)benzene
SMILESC=C(C)C(CC)CCc1ccccc1
InChIInChI=1S/C14H20/c1-4-14(12(2)3)11-10-13-8-6-5-7-9-13/h5-9,14H,2,4,10-11H2,1,3H3
InChIKeyFEDZYPHCDJERCK-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.22
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

2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
(3S,7R)-3,7-diethyl-9-phenylnonan-2-one
CID 101041675
3,4-dimethylhexylbenzene
CID 72602417
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
4-ethyl-1-phenylhexan-3-one
CID 71072308
alumane;3-benzylpentan-2-one
CID 174773852
6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
ethene;3-methylbutylbenzene
CID 145421013
3-amino-5-phenylpentan-2-one;propane
CID 143988472

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpent-4-enyl)benzene?
The IUPAC name of (3-ethyl-4-methylpent-4-enyl)benzene (CID 123220776) is (3-ethyl-4-methylpent-4-enyl)benzene.
What is the SMILES notation for (3-ethyl-4-methylpent-4-enyl)benzene?
The canonical SMILES for (3-ethyl-4-methylpent-4-enyl)benzene is C=C(C)C(CC)CCc1ccccc1.
What is the InChIKey of (3-ethyl-4-methylpent-4-enyl)benzene?
The InChIKey is FEDZYPHCDJERCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-14(12(2)3)11-10-13-8-6-5-7-9-13/h5-9,14H,2,4,10-11H2,1,3H3.
What are the key properties of (3-ethyl-4-methylpent-4-enyl)benzene?
(3-ethyl-4-methylpent-4-enyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpent-4-enyl)benzene is sourced from PubChem (CID 123220776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).