(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one

C16H31NO — CID 59409604

IUPAC(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one
SMILESCC(C)=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C16H31NO/c1-12(2)10-8-9-11-16(7,17-14(5)6)15(18)13(3)4/h10,13-14,17H,8-9,11H2,1-7H3/t16-/m1/s1
InChIKeyVETXDZNRZDOUIC-MRXNPFEDSA-N
MW253.43 g/mol
LogP4.10
Rot. Bonds8

About (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one

(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one (PubChem CID 59409604) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one.

Molecular Properties

Compound Name(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one
PubChem CID59409604
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one
SMILESCC(C)=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C16H31NO/c1-12(2)10-8-9-11-16(7,17-14(5)6)15(18)13(3)4/h10,13-14,17H,8-9,11H2,1-7H3/t16-/m1/s1
InChIKeyVETXDZNRZDOUIC-MRXNPFEDSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one?
The IUPAC name of (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one (CID 59409604) is (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one.
What is the SMILES notation for (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one?
The canonical SMILES for (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one is CC(C)=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C.
What is the InChIKey of (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one?
The InChIKey is VETXDZNRZDOUIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)10-8-9-11-16(7,17-14(5)6)15(18)13(3)4/h10,13-14,17H,8-9,11H2,1-7H3/t16-/m1/s1.
What are the key properties of (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one?
(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one has a molecular weight of 253.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one is sourced from PubChem (CID 59409604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).