7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid

C18H34O3 — CID 6917723

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IUPAC7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid
SMILESCCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m0/s1
InChIKeyNMAOJFAMEOVURT-RTKIROINSA-N
MW298.47 g/mol
LogP4.77
Rot. Bonds12

About 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid

7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid (PubChem CID 6917723) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid
PubChem CID6917723
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid
SMILESCCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m0/s1
InChIKeyNMAOJFAMEOVURT-RTKIROINSA-N
XLogP4.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydroprostaglandin E1
CID 161273
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoic acid
CID 5311239
13,14-dihydro-15-keto-PGE1
CID 165284
6,15-diketo-13,14-dihydroprostaglandin F1alpha
CID 174013
7-[(1R,2S,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-ynyl]-5-oxocyclopentyl]heptanoic acid
CID 10405773
7-[3-Hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid
CID 1428
Rosaprostol sodium
CID 23663949
8-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-ynyl]cyclopentyl]octanoic acid
CID 49799827
13,14-dihydro-15-keto-PGF1alpha
CID 16061100
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-ynyl]cyclopentyl]heptanoic acid
CID 44284854
2,3-Dihydroxycyclopentaneundecanoic acid
CID 243756
12-Hydroxy-8-(hydroxymethyl)heptadecanoic acid
CID 20322214

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid (CID 6917723) is 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid is CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid?
The InChIKey is NMAOJFAMEOVURT-RTKIROINSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m0/s1.
What are the key properties of 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid?
7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid has a molecular weight of 298.47 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid is sourced from PubChem (CID 6917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).