7-hydroxy-4,8-dipropylundec-6-en-5-one

C17H32O2 — CID 158748955

IUPAC7-hydroxy-4,8-dipropylundec-6-en-5-one
SMILESCCCC(CCC)C(=O)C=C(O)C(CCC)CCC
InChIInChI=1S/C17H32O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h13-15,18H,5-12H2,1-4H3
InChIKeyKHOGDCXXBCRFPS-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.43
Rot. Bonds11

About 7-hydroxy-4,8-dipropylundec-6-en-5-one

7-hydroxy-4,8-dipropylundec-6-en-5-one (PubChem CID 158748955) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 7-hydroxy-4,8-dipropylundec-6-en-5-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dipropylundec-6-en-5-one
PubChem CID158748955
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name7-hydroxy-4,8-dipropylundec-6-en-5-one
SMILESCCCC(CCC)C(=O)C=C(O)C(CCC)CCC
InChIInChI=1S/C17H32O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h13-15,18H,5-12H2,1-4H3
InChIKeyKHOGDCXXBCRFPS-UHFFFAOYSA-N
XLogP5.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-propylpentanoic acid
CID 87531584
3,7-diethyl-4-hydroxy-6-oxonon-4-enenitrile
CID 174020186
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
3-propylhex-5-en-2-one
CID 87772070
(2S)-2-propylbutanedioic acid
CID 12648185
5-cyclopentyl-4-hydroxy-2-propylpentanoic acid
CID 103159525
(Z)-2-propylhex-4-enoic acid
CID 59965143
λ2-stannane;2-propylhexanoic acid
CID 174232814
phosphane;2-propylhexanoic acid
CID 87429538

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,8-dipropylundec-6-en-5-one?
The IUPAC name of 7-hydroxy-4,8-dipropylundec-6-en-5-one (CID 158748955) is 7-hydroxy-4,8-dipropylundec-6-en-5-one.
What is the SMILES notation for 7-hydroxy-4,8-dipropylundec-6-en-5-one?
The canonical SMILES for 7-hydroxy-4,8-dipropylundec-6-en-5-one is CCCC(CCC)C(=O)C=C(O)C(CCC)CCC.
What is the InChIKey of 7-hydroxy-4,8-dipropylundec-6-en-5-one?
The InChIKey is KHOGDCXXBCRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-9-14(10-6-2)16(18)13-17(19)15(11-7-3)12-8-4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 7-hydroxy-4,8-dipropylundec-6-en-5-one?
7-hydroxy-4,8-dipropylundec-6-en-5-one has a molecular weight of 268.44 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dipropylundec-6-en-5-one is sourced from PubChem (CID 158748955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).