(5Z)-6-propan-2-ylocta-5,7-dien-4-one

C11H18O — CID 177048553

IUPAC(5Z)-6-propan-2-ylocta-5,7-dien-4-one
SMILESC=C/C(=C\C(=O)CCC)C(C)C
InChIInChI=1S/C11H18O/c1-5-7-11(12)8-10(6-2)9(3)4/h6,8-9H,2,5,7H2,1,3-4H3/b10-8+
InChIKeyPZYFUWXKNFPCNJ-CSKARUKUSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds5

About (5Z)-6-propan-2-ylocta-5,7-dien-4-one

(5Z)-6-propan-2-ylocta-5,7-dien-4-one (PubChem CID 177048553) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (5Z)-6-propan-2-ylocta-5,7-dien-4-one.

Molecular Properties

Compound Name(5Z)-6-propan-2-ylocta-5,7-dien-4-one
PubChem CID177048553
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(5Z)-6-propan-2-ylocta-5,7-dien-4-one
SMILESC=C/C(=C\C(=O)CCC)C(C)C
InChIInChI=1S/C11H18O/c1-5-7-11(12)8-10(6-2)9(3)4/h6,8-9H,2,5,7H2,1,3-4H3/b10-8+
InChIKeyPZYFUWXKNFPCNJ-CSKARUKUSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409
4,8-di(propan-2-yl)undeca-4,7-dien-6-one
CID 139998521
formaldehyde;2-methyl-4-oxohept-2-enoic acid
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3-hydroxy-2-methylnon-3-en-5-one
CID 140897674
6-methylnon-1-en-3-one
CID 173408928
CID 158609547
CID 158609547
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
butanoyl butanoate;2-methylpropanoyl 2-methylpropanoate;prop-2-enoyl butanoate;prop-2-enoyl 2-methylpropanoate
CID 163420054
(2E)-4-oxo-2-propylhexa-2,5-dienal
CID 91538875
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
(Z)-2-bis[[(Z)-4-oxohept-2-en-2-yl]oxy]alumanyloxyhept-2-en-4-one
CID 139990275
ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 171073812

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-propan-2-ylocta-5,7-dien-4-one?
The IUPAC name of (5Z)-6-propan-2-ylocta-5,7-dien-4-one (CID 177048553) is (5Z)-6-propan-2-ylocta-5,7-dien-4-one.
What is the SMILES notation for (5Z)-6-propan-2-ylocta-5,7-dien-4-one?
The canonical SMILES for (5Z)-6-propan-2-ylocta-5,7-dien-4-one is C=C/C(=C\C(=O)CCC)C(C)C.
What is the InChIKey of (5Z)-6-propan-2-ylocta-5,7-dien-4-one?
The InChIKey is PZYFUWXKNFPCNJ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18O/c1-5-7-11(12)8-10(6-2)9(3)4/h6,8-9H,2,5,7H2,1,3-4H3/b10-8+.
What are the key properties of (5Z)-6-propan-2-ylocta-5,7-dien-4-one?
(5Z)-6-propan-2-ylocta-5,7-dien-4-one has a molecular weight of 166.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-propan-2-ylocta-5,7-dien-4-one is sourced from PubChem (CID 177048553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).