(5R)-2,5,8-trimethylnon-7-en-4-one

C12H22O — CID 15382477

IUPAC(5R)-2,5,8-trimethylnon-7-en-4-one
SMILESCC(C)=CC[C@@H](C)C(=O)CC(C)C
InChIInChI=1S/C12H22O/c1-9(2)6-7-11(5)12(13)8-10(3)4/h6,10-11H,7-8H2,1-5H3/t11-/m1/s1
InChIKeyHWOXBPOAQLEIMO-LLVKDONJSA-N
MW182.31 g/mol
LogP3.59
Rot. Bonds5

About (5R)-2,5,8-trimethylnon-7-en-4-one

(5R)-2,5,8-trimethylnon-7-en-4-one (PubChem CID 15382477) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (5R)-2,5,8-trimethylnon-7-en-4-one.

Molecular Properties

Compound Name(5R)-2,5,8-trimethylnon-7-en-4-one
PubChem CID15382477
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(5R)-2,5,8-trimethylnon-7-en-4-one
SMILESCC(C)=CC[C@@H](C)C(=O)CC(C)C
InChIInChI=1S/C12H22O/c1-9(2)6-7-11(5)12(13)8-10(3)4/h6,10-11H,7-8H2,1-5H3/t11-/m1/s1
InChIKeyHWOXBPOAQLEIMO-LLVKDONJSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.59
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

5,8-dimethylnon-7-en-4-one
CID 118393642
2,5-dimethylheptan-4-one
CID 12580686
2,5-dimethyloctan-4-one
CID 88817499
4,7-dimethyl-5-oxooctanal
CID 57274522
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione
CID 100956080
2,5-dimethyl-1-methylsulfinylhexan-3-one
CID 146932132
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
2-(1-hydroxyethyl)-5-methylhex-4-enoic acid
CID 175148500
(3R)-3-hydroxy-2,6-dimethylhept-5-enoic acid
CID 87960704
1,1-dichloro-4-methylpentan-2-one
CID 5323818

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5,8-trimethylnon-7-en-4-one?
The IUPAC name of (5R)-2,5,8-trimethylnon-7-en-4-one (CID 15382477) is (5R)-2,5,8-trimethylnon-7-en-4-one.
What is the SMILES notation for (5R)-2,5,8-trimethylnon-7-en-4-one?
The canonical SMILES for (5R)-2,5,8-trimethylnon-7-en-4-one is CC(C)=CC[C@@H](C)C(=O)CC(C)C.
What is the InChIKey of (5R)-2,5,8-trimethylnon-7-en-4-one?
The InChIKey is HWOXBPOAQLEIMO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)6-7-11(5)12(13)8-10(3)4/h6,10-11H,7-8H2,1-5H3/t11-/m1/s1.
What are the key properties of (5R)-2,5,8-trimethylnon-7-en-4-one?
(5R)-2,5,8-trimethylnon-7-en-4-one has a molecular weight of 182.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5,8-trimethylnon-7-en-4-one is sourced from PubChem (CID 15382477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).