(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one

C14H20O — CID 5363925

IUPAC(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one
SMILESC=CC/C=C(\C)C(/C=C/C(C)=O)=C(C)C
InChIInChI=1S/C14H20O/c1-6-7-8-12(4)14(11(2)3)10-9-13(5)15/h6,8-10H,1,7H2,2-5H3/b10-9+,12-8+
InChIKeyQWORXIWKIODBJN-RSPOHRJYSA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds5

About (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one

(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one (PubChem CID 5363925) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one.

Molecular Properties

Compound Name(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one
PubChem CID5363925
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one
SMILESC=CC/C=C(\C)C(/C=C/C(C)=O)=C(C)C
InChIInChI=1S/C14H20O/c1-6-7-8-12(4)14(11(2)3)10-9-13(5)15/h6,8-10H,1,7H2,2-5H3/b10-9+,12-8+
InChIKeyQWORXIWKIODBJN-RSPOHRJYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-hexa-2,5-dien-2-ol
CID 102117953
N-hydroxy-2-methylhexa-2,5-dienamide
CID 173014431
deca-3,6,9-trien-2-one
CID 139932510
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
(E)-hex-3-ene-2,5-dione
CID 5363639
5-bromohexa-1,4-diene
CID 173459747
2-methylpent-2-enoyl 2-methylhexa-2,5-dienoate
CID 173326603
sulfo (2E)-2-methylhexa-2,5-dienoate
CID 87576331
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
cyano 2-methylhexa-2,5-dienoate
CID 173149992
cyano (2E)-2-methylhexa-2,5-dienoate
CID 87743267
(5-hydroxy-2-methylpent-2-enoyl) 2-methylhexa-2,5-dienoate
CID 173366431

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one?
The IUPAC name of (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one (CID 5363925) is (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one.
What is the SMILES notation for (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one?
The canonical SMILES for (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one is C=CC/C=C(\C)C(/C=C/C(C)=O)=C(C)C.
What is the InChIKey of (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one?
The InChIKey is QWORXIWKIODBJN-RSPOHRJYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-7-8-12(4)14(11(2)3)10-9-13(5)15/h6,8-10H,1,7H2,2-5H3/b10-9+,12-8+.
What are the key properties of (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one?
(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one is sourced from PubChem (CID 5363925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).