(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one

C13H24O — CID 132821545

IUPAC(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one
SMILESC=C[C@@H](C)C[C@H](C)C[C@@H](C)C(=O)CC
InChIInChI=1S/C13H24O/c1-6-10(3)8-11(4)9-12(5)13(14)7-2/h6,10-12H,1,7-9H2,2-5H3/t10-,11+,12-/m1/s1
InChIKeyKUHFHTIRZSUCAH-GRYCIOLGSA-N
MW196.33 g/mol
LogP3.84
Rot. Bonds7

About (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one

(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one (PubChem CID 132821545) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one.

Molecular Properties

Compound Name(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one
PubChem CID132821545
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one
SMILESC=C[C@@H](C)C[C@H](C)C[C@@H](C)C(=O)CC
InChIInChI=1S/C13H24O/c1-6-10(3)8-11(4)9-12(5)13(14)7-2/h6,10-12H,1,7-9H2,2-5H3/t10-,11+,12-/m1/s1
InChIKeyKUHFHTIRZSUCAH-GRYCIOLGSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.84
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

(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
4-but-3-en-2-ylheptane-3,5-dione
CID 21490479
4-ethylhex-5-en-3-one
CID 130029751
carboxy hydrogen carbonate;3-methylpent-1-ene
CID 175053878
(4R)-4-methylheptan-3-one
CID 12696684
carbonic acid;3-methylhex-1-ene
CID 161181273
4-methylhept-1-ene-3,5-dione
CID 12712038
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
3,5,8-trimethylnona-1,7-diene
CID 123488814
4-methyloct-6-en-3-one
CID 73301984

Frequently Asked Questions

What is the IUPAC name of (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one?
The IUPAC name of (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one (CID 132821545) is (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one.
What is the SMILES notation for (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one?
The canonical SMILES for (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one is C=C[C@@H](C)C[C@H](C)C[C@@H](C)C(=O)CC.
What is the InChIKey of (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one?
The InChIKey is KUHFHTIRZSUCAH-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H24O/c1-6-10(3)8-11(4)9-12(5)13(14)7-2/h6,10-12H,1,7-9H2,2-5H3/t10-,11+,12-/m1/s1.
What are the key properties of (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one?
(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one has a molecular weight of 196.33 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one is sourced from PubChem (CID 132821545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).