6-hydroxy-4-methylhept-6-en-2-one

C8H14O2 — CID 20769125

IUPAC6-hydroxy-4-methylhept-6-en-2-one
SMILESC=C(O)CC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-6(4-7(2)9)5-8(3)10/h6,9H,2,4-5H2,1,3H3
InChIKeyYVOLZGNFOPCPOL-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds4

About 6-hydroxy-4-methylhept-6-en-2-one

6-hydroxy-4-methylhept-6-en-2-one (PubChem CID 20769125) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-hydroxy-4-methylhept-6-en-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methylhept-6-en-2-one
PubChem CID20769125
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-hydroxy-4-methylhept-6-en-2-one
SMILESC=C(O)CC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-6(4-7(2)9)5-8(3)10/h6,9H,2,4-5H2,1,3H3
InChIKeyYVOLZGNFOPCPOL-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methylhept-6-en-2-one?
The IUPAC name of 6-hydroxy-4-methylhept-6-en-2-one (CID 20769125) is 6-hydroxy-4-methylhept-6-en-2-one.
What is the SMILES notation for 6-hydroxy-4-methylhept-6-en-2-one?
The canonical SMILES for 6-hydroxy-4-methylhept-6-en-2-one is C=C(O)CC(C)CC(C)=O.
What is the InChIKey of 6-hydroxy-4-methylhept-6-en-2-one?
The InChIKey is YVOLZGNFOPCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(4-7(2)9)5-8(3)10/h6,9H,2,4-5H2,1,3H3.
What are the key properties of 6-hydroxy-4-methylhept-6-en-2-one?
6-hydroxy-4-methylhept-6-en-2-one has a molecular weight of 142.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methylhept-6-en-2-one is sourced from PubChem (CID 20769125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).