2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid

C18H34O5 — CID 58914220

IUPAC2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid
SMILESCCCCCCC(O)CC(O)C1(O)CCCCCCC1C(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-7-10-14(19)13-16(20)18(23)12-9-6-5-8-11-15(18)17(21)22/h14-16,19-20,23H,2-13H2,1H3,(H,21,22)
InChIKeyOJOSRIWGFSOYBF-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.85
Rot. Bonds9

About 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid

2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid (PubChem CID 58914220) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid
PubChem CID58914220
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid
SMILESCCCCCCC(O)CC(O)C1(O)CCCCCCC1C(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-7-10-14(19)13-16(20)18(23)12-9-6-5-8-11-15(18)17(21)22/h14-16,19-20,23H,2-13H2,1H3,(H,21,22)
InChIKeyOJOSRIWGFSOYBF-UHFFFAOYSA-N
XLogP2.85
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S)-1-(1-aminocyclopropyl)hexadecane-1,3-diol
CID 70685989
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-cycloheptyloctan-2-ol
CID 115783533
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
triacontane-6,8-diol
CID 85096450
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
1-chlorohexadecyl cyclohexanecarboxylate
CID 172567002
2-(cyclohexylmethyl)-4-hydroxyundecanehydrazide
CID 2832774
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid?
The IUPAC name of 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid (CID 58914220) is 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid?
The canonical SMILES for 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid is CCCCCCC(O)CC(O)C1(O)CCCCCCC1C(=O)O.
What is the InChIKey of 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid?
The InChIKey is OJOSRIWGFSOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-4-7-10-14(19)13-16(20)18(23)12-9-6-5-8-11-15(18)17(21)22/h14-16,19-20,23H,2-13H2,1H3,(H,21,22).
What are the key properties of 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid?
2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid has a molecular weight of 330.47 g/mol, XLogP of 2.85, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid is sourced from PubChem (CID 58914220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).