3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate

C15H28O4 — CID 91296121

IUPAC3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCO.CC(C)=C(C)CCO
InChIInChI=1S/C8H14O3.C7H14O/c1-6(2)7(3)8(10)11-5-4-9;1-6(2)7(3)4-5-8/h9H,4-5H2,1-3H3;8H,4-5H2,1-3H3
InChIKeyBAZXXZJLYOTQAO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds5

About 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate

3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate (PubChem CID 91296121) has the molecular formula C15H28O4 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate
PubChem CID91296121
Molecular FormulaC15H28O4
Molecular Weight272.39 g/mol
Exact Mass272.20
IUPAC Name3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCO.CC(C)=C(C)CCO
InChIInChI=1S/C8H14O3.C7H14O/c1-6(2)7(3)8(10)11-5-4-9;1-6(2)7(3)4-5-8/h9H,4-5H2,1-3H3;8H,4-5H2,1-3H3
InChIKeyBAZXXZJLYOTQAO-UHFFFAOYSA-N
XLogP2.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpent-3-enal;3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate
CID 159438439
2-hydroxyethyl 2,3-dimethylpenta-2,4-dienoate
CID 175185159
decyl 2,3-dimethylbut-2-enoate
CID 146279966
2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
CID 87240269
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 3-oxo-2-propan-2-ylidenepent-4-enoate
CID 87410832
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
2-hydroxyethyl 2-propan-2-ylidenehex-3-enoate
CID 173088112
2-hydroxyethyl 3,3,5,5-tetramethyl-2-propan-2-ylidenehexanoate
CID 87886332

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate?
The IUPAC name of 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate (CID 91296121) is 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)OCCO.CC(C)=C(C)CCO.
What is the InChIKey of 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate?
The InChIKey is BAZXXZJLYOTQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C7H14O/c1-6(2)7(3)8(10)11-5-4-9;1-6(2)7(3)4-5-8/h9H,4-5H2,1-3H3;8H,4-5H2,1-3H3.
What are the key properties of 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate?
3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate has a molecular weight of 272.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-en-1-ol;2-hydroxyethyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 91296121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).