1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one

C14H26O2 — CID 91067725

IUPAC1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCCC(CO)CCC1
InChIInChI=1S/C14H26O2/c1-11(2)14(16)13-8-4-3-6-12(10-15)7-5-9-13/h11-13,15H,3-10H2,1-2H3
InChIKeyZVNAYRVWWJJNNQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.18
Rot. Bonds3

About 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one

1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one (PubChem CID 91067725) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
PubChem CID91067725
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCCC(CO)CCC1
InChIInChI=1S/C14H26O2/c1-11(2)14(16)13-8-4-3-6-12(10-15)7-5-9-13/h11-13,15H,3-10H2,1-2H3
InChIKeyZVNAYRVWWJJNNQ-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
cyclobutylmethanol;ethanol
CID 68532840
cyclotetradecylmethanol
CID 23468347
1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one
CID 66957573
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
cyclobutylmethanol;methanesulfonic acid
CID 71380993
2-methyl-1-[4-(3-methylbutyl)cyclohexyl]propan-1-one
CID 158556884
1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 166111938
1-[3-(2-methylpropyl)cyclohexyl]ethanone
CID 107430523
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one (CID 91067725) is 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one is CC(C)C(=O)C1CCCCC(CO)CCC1.
What is the InChIKey of 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one?
The InChIKey is ZVNAYRVWWJJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)14(16)13-8-4-3-6-12(10-15)7-5-9-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one?
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one is sourced from PubChem (CID 91067725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).