(E)-2-methyldec-6-en-3-one

C11H20O — CID 58528187

IUPAC(E)-2-methyldec-6-en-3-one
SMILESCCC/C=C/CCC(=O)C(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyWUQKTCCFCHMVHF-VOTSOKGWSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About (E)-2-methyldec-6-en-3-one

(E)-2-methyldec-6-en-3-one (PubChem CID 58528187) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-2-methyldec-6-en-3-one.

Molecular Properties

Compound Name(E)-2-methyldec-6-en-3-one
PubChem CID58528187
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-2-methyldec-6-en-3-one
SMILESCCC/C=C/CCC(=O)C(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyWUQKTCCFCHMVHF-VOTSOKGWSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyldodec-8-en-3-one
CID 176585053
(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one
CID 140679119
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylheptacosa-8,11,14,17,20,23-hexaen-5-one
CID 155632900
2-methylheptan-3-one;hydrate
CID 176897102
(E)-N,N-dimethyloct-4-enamide
CID 13308679
(E)-2-methylnon-7-en-3-one
CID 88707157
methyl (Z)-oct-4-enoate
CID 5352774
11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
CID 163169635
2-methylhexadecan-3-one
CID 58030381
undec-7-ene-2,4-dione
CID 175206298
2-methyl-N-pent-1-enylpropanamide
CID 123152081

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyldec-6-en-3-one?
The IUPAC name of (E)-2-methyldec-6-en-3-one (CID 58528187) is (E)-2-methyldec-6-en-3-one.
What is the SMILES notation for (E)-2-methyldec-6-en-3-one?
The canonical SMILES for (E)-2-methyldec-6-en-3-one is CCC/C=C/CCC(=O)C(C)C.
What is the InChIKey of (E)-2-methyldec-6-en-3-one?
The InChIKey is WUQKTCCFCHMVHF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-9-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of (E)-2-methyldec-6-en-3-one?
(E)-2-methyldec-6-en-3-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyldec-6-en-3-one is sourced from PubChem (CID 58528187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).