butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate

C17H24O2 — CID 44606891

IUPACbutyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate
SMILESCCCCOC(=O)CC(C)/C=C\c1ccccc1C
InChIInChI=1S/C17H24O2/c1-4-5-12-19-17(18)13-14(2)10-11-16-9-7-6-8-15(16)3/h6-11,14H,4-5,12-13H2,1-3H3/b11-10-
InChIKeyRHHTTZSEYWCCLV-KHPPLWFESA-N
MW260.38 g/mol
LogP4.38
Rot. Bonds7

About butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate

butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate (PubChem CID 44606891) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate.

Molecular Properties

Compound Namebutyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate
PubChem CID44606891
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namebutyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate
SMILESCCCCOC(=O)CC(C)/C=C\c1ccccc1C
InChIInChI=1S/C17H24O2/c1-4-5-12-19-17(18)13-14(2)10-11-16-9-7-6-8-15(16)3/h6-11,14H,4-5,12-13H2,1-3H3/b11-10-
InChIKeyRHHTTZSEYWCCLV-KHPPLWFESA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-butoxy-4-(2-methylphenyl)but-3-en-2-one
CID 102148761
butyl prop-2-enoate;1,2-xylene
CID 70409011
(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
CID 22261798
5-[4-[3-(2-methylphenyl)prop-2-enoyloxy]butoxy]-5-oxopentanoic acid
CID 173398155
dibutyl 2-phenyl-2-propan-2-ylpropanedioate
CID 118088461
(3S)-5-butoxy-5-oxo-3-phenylpentanoic acid
CID 45116505
butyl 2-fluoro-2-(2-methylphenyl)acetate
CID 168864548
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
butyl 3-amino-4-phenylbutanoate
CID 147090513
butyl 4-phenylbut-3-enoate
CID 575894
1-O-decyl 4-O-(2-methylphenyl) butanedioate
CID 91702052
butyl 3-[2-(dihydroxymethyl)phenyl]prop-2-enoate
CID 174613313

Frequently Asked Questions

What is the IUPAC name of butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate?
The IUPAC name of butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate (CID 44606891) is butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate.
What is the SMILES notation for butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate?
The canonical SMILES for butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate is CCCCOC(=O)CC(C)/C=C\c1ccccc1C.
What is the InChIKey of butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate?
The InChIKey is RHHTTZSEYWCCLV-KHPPLWFESA-N. The full InChI is InChI=1S/C17H24O2/c1-4-5-12-19-17(18)13-14(2)10-11-16-9-7-6-8-15(16)3/h6-11,14H,4-5,12-13H2,1-3H3/b11-10-.
What are the key properties of butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate?
butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate is sourced from PubChem (CID 44606891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).