cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid

C24H40O4 — CID 57228956

IUPACcis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid
SMILESCCCCC1(C(O)C=C[C@H]2CC[C@@H](O)[C@@H]2CCCC[C@@H]2C[C@H]2C(=O)O)CCC1
InChIInChI=1S/C24H40O4/c1-2-3-13-24(14-6-15-24)22(26)12-10-17-9-11-21(25)19(17)8-5-4-7-18-16-20(18)23(27)28/h10,12,17-22,25-26H,2-9,11,13-16H2,1H3,(H,27,28)/t17-,18-,19-,20-,21-,22?/m1/s1
InChIKeyCSDZWFCWHZDUKD-CGFCOLRFSA-N
MW392.58 g/mol
LogP4.93
Rot. Bonds12

About cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid (PubChem CID 57228956) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid
PubChem CID57228956
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Namecis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid
SMILESCCCCC1(C(O)C=C[C@H]2CC[C@@H](O)[C@@H]2CCCC[C@@H]2C[C@H]2C(=O)O)CCC1
InChIInChI=1S/C24H40O4/c1-2-3-13-24(14-6-15-24)22(26)12-10-17-9-11-21(25)19(17)8-5-4-7-18-16-20(18)23(27)28/h10,12,17-22,25-26H,2-9,11,13-16H2,1H3,(H,27,28)/t17-,18-,19-,20-,21-,22?/m1/s1
InChIKeyCSDZWFCWHZDUKD-CGFCOLRFSA-N
XLogP4.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

9-[(1R)-2-[(E,3R)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]nonanoic acid
CID 90673488
1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 54306538
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 20565049
(2R,3R,4R)-3-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentan-1-one
CID 22812175
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
2-[5-[(2R,3R)-3-octyl-5-oxabicyclo[2.1.1]hexan-2-yl]pentyl]cyclopropane-1-carboxylic acid
CID 22816193
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
CID 70547983
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
CID 154004373
6-[(1R,2S)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-yl]hex-5-enoic acid
CID 57322677

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid (CID 57228956) is cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid is CCCCC1(C(O)C=C[C@H]2CC[C@@H](O)[C@@H]2CCCC[C@@H]2C[C@H]2C(=O)O)CCC1.
What is the InChIKey of cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid?
The InChIKey is CSDZWFCWHZDUKD-CGFCOLRFSA-N. The full InChI is InChI=1S/C24H40O4/c1-2-3-13-24(14-6-15-24)22(26)12-10-17-9-11-21(25)19(17)8-5-4-7-18-16-20(18)23(27)28/h10,12,17-22,25-26H,2-9,11,13-16H2,1H3,(H,27,28)/t17-,18-,19-,20-,21-,22?/m1/s1.
What are the key properties of cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid has a molecular weight of 392.58 g/mol, XLogP of 4.93, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[4-[(1R,2R,5R)-2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-hydroxycyclopentyl]butyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57228956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).