(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one

C18H30O3 — CID 10085835

IUPAC(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C18H30O3/c1-15(9-7-11-17(3)19)8-6-10-16(2)14-21-18-12-4-5-13-20-18/h9-10,18H,4-8,11-14H2,1-3H3/b15-9+,16-10+
InChIKeyKBLSZPXECGDEFD-KAVGSWPWSA-N
MW294.44 g/mol
LogP4.57
Rot. Bonds9

About (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one

(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one (PubChem CID 10085835) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one
PubChem CID10085835
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C18H30O3/c1-15(9-7-11-17(3)19)8-6-10-16(2)14-21-18-12-4-5-13-20-18/h9-10,18H,4-8,11-14H2,1-3H3/b15-9+,16-10+
InChIKeyKBLSZPXECGDEFD-KAVGSWPWSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]tetrahydropyran
CID 10889987
all-trans-Farnesol Tetrahydropyranyl Ether
CID 10638386
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran
CID 10861694
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
Farnesol tetrahydropyranyl ether
CID 54481143
tetrahydro-2-[[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]oxy]-2H-pyran
CID 70394574
4-Methyl-6-(tetrahydropyran-2-yloxy)hex-4-enal
CID 5367936
2,6-Octadienal, 2,6-dimethyl-8-(tetrahydro-2H-2-pyranyloxy)
CID 5367953
(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-one
CID 15726399
(2E,5E,7E)-3-methyl-1-(oxan-2-yloxy)nona-2,5,7-trien-4-one
CID 10060672
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
(5E,9E)-6,10-dimethyl-13-(oxan-2-yloxy)trideca-5,9-dien-2-one
CID 12000504

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one (CID 10085835) is (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.
What is the InChIKey of (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one?
The InChIKey is KBLSZPXECGDEFD-KAVGSWPWSA-N. The full InChI is InChI=1S/C18H30O3/c1-15(9-7-11-17(3)19)8-6-10-16(2)14-21-18-12-4-5-13-20-18/h9-10,18H,4-8,11-14H2,1-3H3/b15-9+,16-10+.
What are the key properties of (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one?
(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one has a molecular weight of 294.44 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one is sourced from PubChem (CID 10085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).