(4R,6S)-4,6-dimethyloct-7-en-2-one

C10H18O — CID 59788969

IUPAC(4R,6S)-4,6-dimethyloct-7-en-2-one
SMILESC=C[C@@H](C)C[C@@H](C)CC(C)=O
InChIInChI=1S/C10H18O/c1-5-8(2)6-9(3)7-10(4)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyGLYSPMCFIJTIPP-RKDXNWHRSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds5

About (4R,6S)-4,6-dimethyloct-7-en-2-one

(4R,6S)-4,6-dimethyloct-7-en-2-one (PubChem CID 59788969) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyloct-7-en-2-one.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyloct-7-en-2-one
PubChem CID59788969
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4R,6S)-4,6-dimethyloct-7-en-2-one
SMILESC=C[C@@H](C)C[C@@H](C)CC(C)=O
InChIInChI=1S/C10H18O/c1-5-8(2)6-9(3)7-10(4)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyGLYSPMCFIJTIPP-RKDXNWHRSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
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

(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
(4R,6R)-4,6-dimethyloctan-2-one
CID 15199451
(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one
CID 132821545
3,5,8-trimethylnona-1,7-diene
CID 123488814
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
5-chloro-4-methylpentan-2-one
CID 55303169
2-ethenyl-4-methylhexanedioic acid
CID 57311448
2-diazo-5-methylhept-6-en-3-one
CID 72564197
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
4-methyloct-6-en-2-one
CID 54170853
N,N,3-trimethylpent-4-enamide
CID 10654310
3,5,8-trimethylnon-1-ene
CID 123935828

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyloct-7-en-2-one?
The IUPAC name of (4R,6S)-4,6-dimethyloct-7-en-2-one (CID 59788969) is (4R,6S)-4,6-dimethyloct-7-en-2-one.
What is the SMILES notation for (4R,6S)-4,6-dimethyloct-7-en-2-one?
The canonical SMILES for (4R,6S)-4,6-dimethyloct-7-en-2-one is C=C[C@@H](C)C[C@@H](C)CC(C)=O.
What is the InChIKey of (4R,6S)-4,6-dimethyloct-7-en-2-one?
The InChIKey is GLYSPMCFIJTIPP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(2)6-9(3)7-10(4)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1.
What are the key properties of (4R,6S)-4,6-dimethyloct-7-en-2-one?
(4R,6S)-4,6-dimethyloct-7-en-2-one has a molecular weight of 154.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-dimethyloct-7-en-2-one is sourced from PubChem (CID 59788969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).