(Z)-3-methylpent-3-en-2-one;pentane

C11H22O — CID 54554891

IUPAC(Z)-3-methylpent-3-en-2-one;pentane
SMILESC/C=C(/C)C(C)=O.CCCCC
InChIInChI=1S/C6H10O.C5H12/c1-4-5(2)6(3)7;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3/b5-4-;
InChIKeyZMLZXNKHCKOVCE-MKWAYWHRSA-N
MW170.30 g/mol
LogP3.74
Rot. Bonds3

About (Z)-3-methylpent-3-en-2-one;pentane

(Z)-3-methylpent-3-en-2-one;pentane (PubChem CID 54554891) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z)-3-methylpent-3-en-2-one;pentane.

Molecular Properties

Compound Name(Z)-3-methylpent-3-en-2-one;pentane
PubChem CID54554891
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(Z)-3-methylpent-3-en-2-one;pentane
SMILESC/C=C(/C)C(C)=O.CCCCC
InChIInChI=1S/C6H10O.C5H12/c1-4-5(2)6(3)7;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3/b5-4-;
InChIKeyZMLZXNKHCKOVCE-MKWAYWHRSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-methylpent-3-en-2-one;pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-3-methyldodec-2-en-4-one
CID 102121544
(E)-5-hydroxy-3-methylnon-3-en-2-one
CID 87291141
pentane;pentane-2,4-dione
CID 91463121
5-hydroxy-3,5-dimethylnon-3-en-2-one
CID 91212122
butyl (Z)-3-methyl-4-oxopent-2-enoate
CID 122472047
undecyl (E)-2-methylbut-2-enoate
CID 91701896
oxalic acid;pentane
CID 158926498
hexane;methanol;propan-2-one
CID 174562588
(Z)-dodec-2-ene;propan-2-one
CID 175013676
acetic acid;dichloromethane;pentane
CID 87119243

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylpent-3-en-2-one;pentane?
The IUPAC name of (Z)-3-methylpent-3-en-2-one;pentane (CID 54554891) is (Z)-3-methylpent-3-en-2-one;pentane.
What is the SMILES notation for (Z)-3-methylpent-3-en-2-one;pentane?
The canonical SMILES for (Z)-3-methylpent-3-en-2-one;pentane is C/C=C(/C)C(C)=O.CCCCC.
What is the InChIKey of (Z)-3-methylpent-3-en-2-one;pentane?
The InChIKey is ZMLZXNKHCKOVCE-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H10O.C5H12/c1-4-5(2)6(3)7;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3/b5-4-;.
What are the key properties of (Z)-3-methylpent-3-en-2-one;pentane?
(Z)-3-methylpent-3-en-2-one;pentane has a molecular weight of 170.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-3-en-2-one;pentane is sourced from PubChem (CID 54554891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).