(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one

C14H18O — CID 130346277

IUPAC(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
SMILESC=C/C=C(\C)C(=O)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C14H18O/c1-5-8-11-13(10-7-3)14(15)12(4)9-6-2/h5-11H,2H2,1,3-4H3/b8-5-,10-7-,12-9+,13-11+
InChIKeyXAIYCRFZLYYASR-SZXPQPFKSA-N
MW202.30 g/mol
LogP3.77
Rot. Bonds5

About (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one

(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one (PubChem CID 130346277) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one.

Molecular Properties

Compound Name(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
PubChem CID130346277
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
SMILESC=C/C=C(\C)C(=O)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C14H18O/c1-5-8-11-13(10-7-3)14(15)12(4)9-6-2/h5-11H,2H2,1,3-4H3/b8-5-,10-7-,12-9+,13-11+
InChIKeyXAIYCRFZLYYASR-SZXPQPFKSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.77
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

(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
CID 142047884
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030
ethane;(2E,4Z)-2-[(Z)-prop-1-enyl]-1-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]-1,4-diazepan-1-yl]hexa-2,4-dien-1-one
CID 143859704
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
(3E,6E,10E,13E)-13-hydroxyimino-6,11-dimethyl-8,9-dimethylidene-4-[(Z)-prop-1-enyl]nonadeca-1,3,6,10-tetraene-5,12-dione
CID 156846239

Frequently Asked Questions

What is the IUPAC name of (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one?
The IUPAC name of (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one (CID 130346277) is (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one.
What is the SMILES notation for (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one?
The canonical SMILES for (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one is C=C/C=C(\C)C(=O)C(/C=C\C)=C/C=C\C.
What is the InChIKey of (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one?
The InChIKey is XAIYCRFZLYYASR-SZXPQPFKSA-N. The full InChI is InChI=1S/C14H18O/c1-5-8-11-13(10-7-3)14(15)12(4)9-6-2/h5-11H,2H2,1,3-4H3/b8-5-,10-7-,12-9+,13-11+.
What are the key properties of (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one?
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one has a molecular weight of 202.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one is sourced from PubChem (CID 130346277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).