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

C18H32O3 — CID 102007417

IUPAC7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@H](O)CC[C@H]1C1CCCCC1
InChIInChI=1S/C18H32O3/c19-17-13-12-15(14-8-4-3-5-9-14)16(17)10-6-1-2-7-11-18(20)21/h14-17,19H,1-13H2,(H,20,21)/t15-,16-,17+/m0/s1
InChIKeyMYPPEUOUFIPISK-YESZJQIVSA-N
MW296.45 g/mol
LogP4.38
Rot. Bonds8

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

7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid (PubChem CID 102007417) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
PubChem CID102007417
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@H](O)CC[C@H]1C1CCCCC1
InChIInChI=1S/C18H32O3/c19-17-13-12-15(14-8-4-3-5-9-14)16(17)10-6-1-2-7-11-18(20)21/h14-17,19H,1-13H2,(H,20,21)/t15-,16-,17+/m0/s1
InChIKeyMYPPEUOUFIPISK-YESZJQIVSA-N
XLogP4.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.38
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

7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
7-[2-hydroxy-5-(nitromethyl)cyclopentyl]heptanoic acid
CID 21403618
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
CID 21403706
7-(2-cyclopropylcyclopropyl)heptanoic acid
CID 85185916
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
8-cyclobutyloctanoic acid
CID 72551210
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid (CID 102007417) is 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1[C@H](O)CC[C@H]1C1CCCCC1.
What is the InChIKey of 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid?
The InChIKey is MYPPEUOUFIPISK-YESZJQIVSA-N. The full InChI is InChI=1S/C18H32O3/c19-17-13-12-15(14-8-4-3-5-9-14)16(17)10-6-1-2-7-11-18(20)21/h14-17,19H,1-13H2,(H,20,21)/t15-,16-,17+/m0/s1.
What are the key properties of 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid?
7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid has a molecular weight of 296.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid is sourced from PubChem (CID 102007417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).