(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid

C18H30O6 — CID 170444468

IUPAC(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid
SMILESCCCC[C@H](OC1CC1)C(=O)OCCO[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C18H30O6/c1-2-3-8-15(24-14-9-10-14)18(21)23-12-11-22-16(17(19)20)13-6-4-5-7-13/h13-16H,2-12H2,1H3,(H,19,20)/t15-,16-/m0/s1
InChIKeyYNWDYVVVNBPQGP-HOTGVXAUSA-N
MW342.43 g/mol
LogP2.93
Rot. Bonds12

About (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid

(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid (PubChem CID 170444468) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid
PubChem CID170444468
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid
SMILESCCCC[C@H](OC1CC1)C(=O)OCCO[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C18H30O6/c1-2-3-8-15(24-14-9-10-14)18(21)23-12-11-22-16(17(19)20)13-6-4-5-7-13/h13-16H,2-12H2,1H3,(H,19,20)/t15-,16-/m0/s1
InChIKeyYNWDYVVVNBPQGP-HOTGVXAUSA-N
XLogP2.93
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
2-cyclopentyltridecanoic acid
CID 22665117
octyl 2-amino-2-cyclohexylacetate
CID 63539863
2-cyclohexyldecanoic acid
CID 19004831
6-cyclohexyldecyl carbamate
CID 70556984
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
2-(oxetan-3-yloxy)hexanoic acid
CID 102605290
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-phenoxyethyl 2-ethoxynonanoate
CID 174802894
2-ethoxyicosanoic acid
CID 86106777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid (CID 170444468) is (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid is CCCC[C@H](OC1CC1)C(=O)OCCO[C@H](C(=O)O)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid?
The InChIKey is YNWDYVVVNBPQGP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H30O6/c1-2-3-8-15(24-14-9-10-14)18(21)23-12-11-22-16(17(19)20)13-6-4-5-7-13/h13-16H,2-12H2,1H3,(H,19,20)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid?
(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid has a molecular weight of 342.43 g/mol, XLogP of 2.93, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid is sourced from PubChem (CID 170444468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).