1-hydroxy-3,7-dimethyloct-6-en-2-one

C10H18O2 — CID 15409470

IUPAC1-hydroxy-3,7-dimethyloct-6-en-2-one
SMILESCC(C)=CCCC(C)C(=O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9,11H,4,6-7H2,1-3H3
InChIKeyGILUWVHMCQOOCM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About 1-hydroxy-3,7-dimethyloct-6-en-2-one

1-hydroxy-3,7-dimethyloct-6-en-2-one (PubChem CID 15409470) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-hydroxy-3,7-dimethyloct-6-en-2-one.

Molecular Properties

Compound Name1-hydroxy-3,7-dimethyloct-6-en-2-one
PubChem CID15409470
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-hydroxy-3,7-dimethyloct-6-en-2-one
SMILESCC(C)=CCCC(C)C(=O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9,11H,4,6-7H2,1-3H3
InChIKeyGILUWVHMCQOOCM-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
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(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
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2,6-dimethylhept-5-enal
CID 158364508
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
S-(6-methylhept-5-en-2-yl) ethanethioate
CID 10559479
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
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6,10-dimethylundec-9-ene-2,3-dione
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6-methylhept-5-en-2-yl propanoate
CID 3020294

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,7-dimethyloct-6-en-2-one?
The IUPAC name of 1-hydroxy-3,7-dimethyloct-6-en-2-one (CID 15409470) is 1-hydroxy-3,7-dimethyloct-6-en-2-one.
What is the SMILES notation for 1-hydroxy-3,7-dimethyloct-6-en-2-one?
The canonical SMILES for 1-hydroxy-3,7-dimethyloct-6-en-2-one is CC(C)=CCCC(C)C(=O)CO.
What is the InChIKey of 1-hydroxy-3,7-dimethyloct-6-en-2-one?
The InChIKey is GILUWVHMCQOOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9,11H,4,6-7H2,1-3H3.
What are the key properties of 1-hydroxy-3,7-dimethyloct-6-en-2-one?
1-hydroxy-3,7-dimethyloct-6-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,7-dimethyloct-6-en-2-one is sourced from PubChem (CID 15409470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).