(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one

C15H24O — CID 100994189

IUPAC(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
SMILESC=C(C)CC/C=C(\C)C(=O)C(=C)C(C)(C)C
InChIInChI=1S/C15H24O/c1-11(2)9-8-10-12(3)14(16)13(4)15(5,6)7/h10H,1,4,8-9H2,2-3,5-7H3/b12-10+
InChIKeyMLKXYZNUGGEECO-ZRDIBKRKSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds5

About (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one

(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one (PubChem CID 100994189) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one.

Molecular Properties

Compound Name(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
PubChem CID100994189
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
SMILESC=C(C)CC/C=C(\C)C(=O)C(=C)C(C)(C)C
InChIInChI=1S/C15H24O/c1-11(2)9-8-10-12(3)14(16)13(4)15(5,6)7/h10H,1,4,8-9H2,2-3,5-7H3/b12-10+
InChIKeyMLKXYZNUGGEECO-ZRDIBKRKSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
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'}

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Related Compounds

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CID 10878320
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CID 20501743
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
3-ethyl-7-methylocta-3,7-dien-2-one
CID 54536933
2,6-dimethylocta-1,5-diene
CID 54025904
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
CID 134365006
2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966734
1-amino-2,2,6-trimethylhept-6-en-3-one
CID 114478039
5-methylhexa-1,5-dien-1-one
CID 134893405
2-methyl-6-oxohept-2-enoic acid
CID 85419897

Frequently Asked Questions

What is the IUPAC name of (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one?
The IUPAC name of (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one (CID 100994189) is (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one.
What is the SMILES notation for (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one?
The canonical SMILES for (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one is C=C(C)CC/C=C(\C)C(=O)C(=C)C(C)(C)C.
What is the InChIKey of (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one?
The InChIKey is MLKXYZNUGGEECO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)9-8-10-12(3)14(16)13(4)15(5,6)7/h10H,1,4,8-9H2,2-3,5-7H3/b12-10+.
What are the key properties of (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one?
(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one has a molecular weight of 220.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one is sourced from PubChem (CID 100994189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).