acetic acid;nonan-5-ol

C11H24O3 — CID 53445479

IUPACacetic acid;nonan-5-ol
SMILESCC(=O)O.CCCCC(O)CCCC
InChIInChI=1S/C9H20O.C2H4O2/c1-3-5-7-9(10)8-6-4-2;1-2(3)4/h9-10H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyBORAQRJZZSBBAM-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.82
Rot. Bonds6

About acetic acid;nonan-5-ol

acetic acid;nonan-5-ol (PubChem CID 53445479) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is acetic acid;nonan-5-ol.

Molecular Properties

Compound Nameacetic acid;nonan-5-ol
PubChem CID53445479
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Nameacetic acid;nonan-5-ol
SMILESCC(=O)O.CCCCC(O)CCCC
InChIInChI=1S/C9H20O.C2H4O2/c1-3-5-7-9(10)8-6-4-2;1-2(3)4/h9-10H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyBORAQRJZZSBBAM-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxyoctanoic acid
CID 159216758
CID 172776718
CID 172776718
21-hydroxypentacosanoic acid
CID 169277058
13-hydroxyheptadecan-2-one
CID 164804784
2,2-bis(4-hydroxyoctyl)propanedioic acid
CID 146624626
acetic acid;octane-1,2-diol
CID 71443933
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
tritetracontan-5-ol
CID 162898528
7,10,14-trihydroxyoctadec-2-enoic acid
CID 146242425
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol
CID 87319718

Frequently Asked Questions

What is the IUPAC name of acetic acid;nonan-5-ol?
The IUPAC name of acetic acid;nonan-5-ol (CID 53445479) is acetic acid;nonan-5-ol.
What is the SMILES notation for acetic acid;nonan-5-ol?
The canonical SMILES for acetic acid;nonan-5-ol is CC(=O)O.CCCCC(O)CCCC.
What is the InChIKey of acetic acid;nonan-5-ol?
The InChIKey is BORAQRJZZSBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C2H4O2/c1-3-5-7-9(10)8-6-4-2;1-2(3)4/h9-10H,3-8H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;nonan-5-ol?
acetic acid;nonan-5-ol has a molecular weight of 204.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;nonan-5-ol is sourced from PubChem (CID 53445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).