(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid

C13H22O4 — CID 174639148

IUPAC(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid
SMILESCC(C)OC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H22O4/c1-7(2)10(12(14)15)11(8(3)4)13(16)17-9(5)6/h7-9H,1-6H3,(H,14,15)/b11-10-
InChIKeyGQIQPRZIWYSOCV-KHPPLWFESA-N
MW242.31 g/mol
LogP2.63
Rot. Bonds5

About (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid

(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid (PubChem CID 174639148) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid
PubChem CID174639148
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid
SMILESCC(C)OC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H22O4/c1-7(2)10(12(14)15)11(8(3)4)13(16)17-9(5)6/h7-9H,1-6H3,(H,14,15)/b11-10-
InChIKeyGQIQPRZIWYSOCV-KHPPLWFESA-N
XLogP2.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(1-oxo-1-propan-2-yloxypropan-2-yl)but-2-enedioic acid
CID 91377482
(Z)-2,3-bis(1-hydroxyethyl)but-2-enedioic acid
CID 23312433
propan-2-yl 2,4-dimethyl-3-propan-2-ylpent-2-enoate
CID 88632004
2-methylpropanoic acid;ruthenium
CID 88674751
(Z)-3-hex-5-enoxycarbonyl-4-methyl-2-propan-2-ylpent-2-enoic acid
CID 175563329
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
2-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
propan-2-yl 2-methylprop-2-enoate
CID 146421311
(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
CID 139788321
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid?
The IUPAC name of (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid (CID 174639148) is (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid.
What is the SMILES notation for (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid?
The canonical SMILES for (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid is CC(C)OC(=O)/C(=C(\C(=O)O)C(C)C)C(C)C.
What is the InChIKey of (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid?
The InChIKey is GQIQPRZIWYSOCV-KHPPLWFESA-N. The full InChI is InChI=1S/C13H22O4/c1-7(2)10(12(14)15)11(8(3)4)13(16)17-9(5)6/h7-9H,1-6H3,(H,14,15)/b11-10-.
What are the key properties of (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid?
(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid has a molecular weight of 242.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid is sourced from PubChem (CID 174639148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).