(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid

C16H26O4 — CID 175563329

IUPAC(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid
SMILESC=CCCCCOC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C16H26O4/c1-6-7-8-9-10-20-16(19)14(12(4)5)13(11(2)3)15(17)18/h6,11-12H,1,7-10H2,2-5H3,(H,17,18)/b14-13-
InChIKeyDGLVKYUVKHGUSD-YPKPFQOOSA-N
MW282.38 g/mol
LogP3.58
Rot. Bonds9

About (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid

(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid (PubChem CID 175563329) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid
PubChem CID175563329
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid
SMILESC=CCCCCOC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C16H26O4/c1-6-7-8-9-10-20-16(19)14(12(4)5)13(11(2)3)15(17)18/h6,11-12H,1,7-10H2,2-5H3,(H,17,18)/b14-13-
InChIKeyDGLVKYUVKHGUSD-YPKPFQOOSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oct-7-enyl 2-methylpropanoate
CID 87633860
(Z)-4-hex-5-enoxy-2,3-dimethyl-4-oxobut-2-enoic acid
CID 175563353
hex-5-enyl 2-methyl-3-oxobutanoate
CID 102590101
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
hex-5-enyl acetate
CID 537536
nonadec-18-enyl acetate
CID 87443633
pentadec-14-enyl acetate
CID 87443745
dibutyl 2,3-di(propan-2-yl)but-2-enedioate
CID 123256400
(2R)-2-hept-6-enoxypropanoic acid
CID 107005963
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
ethyl hex-5-enyl carbonate
CID 45140691

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid?
The IUPAC name of (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid (CID 175563329) is (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid?
The canonical SMILES for (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid is C=CCCCCOC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C.
What is the InChIKey of (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid?
The InChIKey is DGLVKYUVKHGUSD-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H26O4/c1-6-7-8-9-10-20-16(19)14(12(4)5)13(11(2)3)15(17)18/h6,11-12H,1,7-10H2,2-5H3,(H,17,18)/b14-13-.
What are the key properties of (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid?
(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid has a molecular weight of 282.38 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid is sourced from PubChem (CID 175563329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).