(7R)-6,6,7,11-tetramethyldodec-10-en-5-one

C16H30O — CID 87515653

IUPAC(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
SMILESCCCCC(=O)C(C)(C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-7-8-12-15(17)16(5,6)14(4)11-9-10-13(2)3/h10,14H,7-9,11-12H2,1-6H3/t14-/m1/s1
InChIKeyZDUXPMYTAXEQBF-CQSZACIVSA-N
MW238.41 g/mol
LogP5.15
Rot. Bonds8

About (7R)-6,6,7,11-tetramethyldodec-10-en-5-one

(7R)-6,6,7,11-tetramethyldodec-10-en-5-one (PubChem CID 87515653) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (7R)-6,6,7,11-tetramethyldodec-10-en-5-one.

Molecular Properties

Compound Name(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
PubChem CID87515653
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
SMILESCCCCC(=O)C(C)(C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-7-8-12-15(17)16(5,6)14(4)11-9-10-13(2)3/h10,14H,7-9,11-12H2,1-6H3/t14-/m1/s1
InChIKeyZDUXPMYTAXEQBF-CQSZACIVSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.15
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

4,5,5-trimethylundecan-6-one
CID 173241130
6,6,9-trimethyldec-8-en-5-one
CID 59350132
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
2-butyl-3,7-dimethylocta-2,6-dienoic acid
CID 90775093
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
8,12-dimethyltridec-11-en-4-one
CID 71359316
2,2,3,7-tetramethyloct-6-enyl acetate
CID 155155943
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717

Frequently Asked Questions

What is the IUPAC name of (7R)-6,6,7,11-tetramethyldodec-10-en-5-one?
The IUPAC name of (7R)-6,6,7,11-tetramethyldodec-10-en-5-one (CID 87515653) is (7R)-6,6,7,11-tetramethyldodec-10-en-5-one.
What is the SMILES notation for (7R)-6,6,7,11-tetramethyldodec-10-en-5-one?
The canonical SMILES for (7R)-6,6,7,11-tetramethyldodec-10-en-5-one is CCCCC(=O)C(C)(C)[C@H](C)CCC=C(C)C.
What is the InChIKey of (7R)-6,6,7,11-tetramethyldodec-10-en-5-one?
The InChIKey is ZDUXPMYTAXEQBF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30O/c1-7-8-12-15(17)16(5,6)14(4)11-9-10-13(2)3/h10,14H,7-9,11-12H2,1-6H3/t14-/m1/s1.
What are the key properties of (7R)-6,6,7,11-tetramethyldodec-10-en-5-one?
(7R)-6,6,7,11-tetramethyldodec-10-en-5-one has a molecular weight of 238.41 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6,6,7,11-tetramethyldodec-10-en-5-one is sourced from PubChem (CID 87515653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).