(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one

C17H30O3 — CID 100939993

IUPAC(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
SMILESCC(C)=CCCC(=O)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-14(2)8-6-10-16(18)11-7-9-15(3)20-17-12-4-5-13-19-17/h8,15,17H,4-7,9-13H2,1-3H3/t15-,17?/m1/s1
InChIKeySDHJRLKLEHQPLB-LDCVWXEPSA-N
MW282.42 g/mol
LogP4.40
Rot. Bonds9

About (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one

(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one (PubChem CID 100939993) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one.

Molecular Properties

Compound Name(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
PubChem CID100939993
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
SMILESCC(C)=CCCC(=O)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-14(2)8-6-10-16(18)11-7-9-15(3)20-17-12-4-5-13-19-17/h8,15,17H,4-7,9-13H2,1-3H3/t15-,17?/m1/s1
InChIKeySDHJRLKLEHQPLB-LDCVWXEPSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.40
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

3-[4-(Oxan-2-yloxy)butyl]cyclohex-2-en-1-one
CID 135025098
(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
CID 10468996
4-[2-(Oxan-2-yloxy)ethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-one
CID 134858471
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
3-[4-(Oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
CID 10730486
3-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 10779149
2-[7-[(Tetrahydro-2h-pyran-2-yl)oxy]heptyl]-2-cyclopenten-1-one
CID 21325442
2-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 56988284
2-[7-(Oxan-2-yloxy)heptyl]cyclohex-2-en-1-one
CID 57214716
2-[6-(Oxan-2-yloxy)hexyl]cyclopent-2-en-1-one
CID 57275588
(3Z)-5-(oxan-2-yloxy)cyclooct-3-en-1-one
CID 129162302
2-[(2S,4R,6R)-2-methyl-6-(7-methyloct-6-enyl)-1,3-dioxan-4-yl]acetaldehyde
CID 9838278

Frequently Asked Questions

What is the IUPAC name of (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one?
The IUPAC name of (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one (CID 100939993) is (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one.
What is the SMILES notation for (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one?
The canonical SMILES for (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one is CC(C)=CCCC(=O)CCC[C@@H](C)OC1CCCCO1.
What is the InChIKey of (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one?
The InChIKey is SDHJRLKLEHQPLB-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H30O3/c1-14(2)8-6-10-16(18)11-7-9-15(3)20-17-12-4-5-13-19-17/h8,15,17H,4-7,9-13H2,1-3H3/t15-,17?/m1/s1.
What are the key properties of (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one?
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one has a molecular weight of 282.42 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one is sourced from PubChem (CID 100939993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).