(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one

C15H28O2 — CID 170539400

IUPAC(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one
SMILESCC(C)C(C)/C(O)=C/C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C15H28O2/c1-9(2)12(7)13(16)8-14(17)15(10(3)4)11(5)6/h8-12,15-16H,1-7H3/b13-8-
InChIKeyPSGVWVKRDFQEHK-JYRVWZFOSA-N
MW240.39 g/mol
LogP4.22
Rot. Bonds6

About (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one

(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one (PubChem CID 170539400) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one.

Molecular Properties

Compound Name(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one
PubChem CID170539400
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one
SMILESCC(C)C(C)/C(O)=C/C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C15H28O2/c1-9(2)12(7)13(16)8-14(17)15(10(3)4)11(5)6/h8-12,15-16H,1-7H3/b13-8-
InChIKeyPSGVWVKRDFQEHK-JYRVWZFOSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.22
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

2,6-dimethyl-5-propan-2-ylhept-2-en-4-one
CID 174864844
6-hydroxy-2,3,7-trimethylnon-5-en-4-one
CID 177119848
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
CID 5378288
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one
CID 118319232
(2R)-2,3-dimethylbutanoic acid;(4R)-4,5-dimethylhex-1-en-3-one
CID 158678259
(E)-7,8-dimethyl-3,6-dioxo-2-propan-2-ylnon-4-enoic acid
CID 87671819
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
3,4-dimethylpentan-2-one;sulfane
CID 158809949
7-hydroxy-4,8-dipropylundec-6-en-5-one
CID 158748955
(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one
CID 167032941
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592

Frequently Asked Questions

What is the IUPAC name of (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one?
The IUPAC name of (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one (CID 170539400) is (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one.
What is the SMILES notation for (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one?
The canonical SMILES for (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one is CC(C)C(C)/C(O)=C/C(=O)C(C(C)C)C(C)C.
What is the InChIKey of (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one?
The InChIKey is PSGVWVKRDFQEHK-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H28O2/c1-9(2)12(7)13(16)8-14(17)15(10(3)4)11(5)6/h8-12,15-16H,1-7H3/b13-8-.
What are the key properties of (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one?
(Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one has a molecular weight of 240.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-hydroxy-2,7,8-trimethyl-3-propan-2-ylnon-5-en-4-one is sourced from PubChem (CID 170539400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).