9-(3-methylfuran-2-yl)nonanoic acid

C14H22O3 — CID 18795097

IUPAC9-(3-methylfuran-2-yl)nonanoic acid
SMILESCc1ccoc1CCCCCCCCC(=O)O
InChIInChI=1S/C14H22O3/c1-12-10-11-17-13(12)8-6-4-2-3-5-7-9-14(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyJSONMAWPEJMVMN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.95
Rot. Bonds9

About 9-(3-methylfuran-2-yl)nonanoic acid

9-(3-methylfuran-2-yl)nonanoic acid (PubChem CID 18795097) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 9-(3-methylfuran-2-yl)nonanoic acid.

Molecular Properties

Compound Name9-(3-methylfuran-2-yl)nonanoic acid
PubChem CID18795097
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name9-(3-methylfuran-2-yl)nonanoic acid
SMILESCc1ccoc1CCCCCCCCC(=O)O
InChIInChI=1S/C14H22O3/c1-12-10-11-17-13(12)8-6-4-2-3-5-7-9-14(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyJSONMAWPEJMVMN-UHFFFAOYSA-N
XLogP3.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyfuran-2-yl)pentanoic acid;methyl 5-(3-methoxyfuran-2-yl)pentanoate
CID 161246757
dodecanedioic acid;1,4-xylene
CID 66586315
18-[2-(18-amino-18-oxooctadecyl)-3,6-dimethylphenyl]octadecanoic acid
CID 69051285
10-(4-methylphenyl)decanoic acid
CID 54262490
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid
CID 142077547
15-phenylpentadecanoic acid
CID 2737151
9-(oxiren-2-yl)nonanoic acid
CID 141359702
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314
methanol;tridecanedioic acid
CID 175511493
1-(3-methylfuran-2-yl)decan-1-one
CID 104799396
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylfuran-2-yl)nonanoic acid?
The IUPAC name of 9-(3-methylfuran-2-yl)nonanoic acid (CID 18795097) is 9-(3-methylfuran-2-yl)nonanoic acid.
What is the SMILES notation for 9-(3-methylfuran-2-yl)nonanoic acid?
The canonical SMILES for 9-(3-methylfuran-2-yl)nonanoic acid is Cc1ccoc1CCCCCCCCC(=O)O.
What is the InChIKey of 9-(3-methylfuran-2-yl)nonanoic acid?
The InChIKey is JSONMAWPEJMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-12-10-11-17-13(12)8-6-4-2-3-5-7-9-14(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 9-(3-methylfuran-2-yl)nonanoic acid?
9-(3-methylfuran-2-yl)nonanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylfuran-2-yl)nonanoic acid is sourced from PubChem (CID 18795097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).