(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid

C11H16O4 — CID 13310370

IUPAC(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid
SMILESCCC/C=C(\C(=O)O)C(C(=O)O)=C(C)C
InChIInChI=1S/C11H16O4/c1-4-5-6-8(10(12)13)9(7(2)3)11(14)15/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyOKBKXLLBQGLYBF-VURMDHGXSA-N
MW212.24 g/mol
LogP2.22
Rot. Bonds5

About (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid

(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid (PubChem CID 13310370) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid.

Molecular Properties

Compound Name(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid
PubChem CID13310370
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid
SMILESCCC/C=C(\C(=O)O)C(C(=O)O)=C(C)C
InChIInChI=1S/C11H16O4/c1-4-5-6-8(10(12)13)9(7(2)3)11(14)15/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyOKBKXLLBQGLYBF-VURMDHGXSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
2-hexylidenepropanedioic acid
CID 21274064
(E)-3-iodohept-3-en-2-one
CID 101368269
2-nonadecylidenepropanedioic acid
CID 19832661
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
methyl (E)-2-acetylhex-2-enoate
CID 12838651
2-[(Z)-1-bromopent-1-enyl]sulfanyl-3-methylbut-2-enoic acid
CID 118944539
pent-1-ene-1,1-diol
CID 21473005
3-hydroxyhept-3-enoic acid
CID 173143432
3-propylhept-3-en-2-one
CID 537652
2-methylhex-2-enamide;hydrochloride
CID 141109029
(E)-2-(carbamoylamino)hex-2-enoic acid
CID 87351470

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid?
The IUPAC name of (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid (CID 13310370) is (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid.
What is the SMILES notation for (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid?
The canonical SMILES for (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid is CCC/C=C(\C(=O)O)C(C(=O)O)=C(C)C.
What is the InChIKey of (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid?
The InChIKey is OKBKXLLBQGLYBF-VURMDHGXSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-5-6-8(10(12)13)9(7(2)3)11(14)15/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)/b8-6-.
What are the key properties of (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid?
(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid has a molecular weight of 212.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid is sourced from PubChem (CID 13310370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).