(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

C26H46O7Si — CID 173366025

IUPAC(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
SMILESCC(=O)OC1CC(OC2CCCCO2)C(C(C)(C)O[SiH2]C(C)(C)C)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C26H46O7Si/c1-18(27)31-20-17-21(32-23-15-11-12-16-30-23)24(26(5,6)33-34-25(2,3)4)19(20)13-9-7-8-10-14-22(28)29/h7,9,19-21,23-24H,8,10-17,34H2,1-6H3,(H,28,29)/b9-7-
InChIKeyVULZMJBGKFUKEM-CLFYSBASSA-N
MW498.73 g/mol
LogP4.76
Rot. Bonds12

About (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (PubChem CID 173366025) has the molecular formula C26H46O7Si and a molecular weight of 498.73 g/mol. Its IUPAC name is (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
PubChem CID173366025
Molecular FormulaC26H46O7Si
Molecular Weight498.73 g/mol
Exact Mass498.30
IUPAC Name(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
SMILESCC(=O)OC1CC(OC2CCCCO2)C(C(C)(C)O[SiH2]C(C)(C)C)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C26H46O7Si/c1-18(27)31-20-17-21(32-23-15-11-12-16-30-23)24(26(5,6)33-34-25(2,3)4)19(20)13-9-7-8-10-14-22(28)29/h7,9,19-21,23-24H,8,10-17,34H2,1-6H3,(H,28,29)/b9-7-
InChIKeyVULZMJBGKFUKEM-CLFYSBASSA-N
XLogP4.76
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 7-[(1R,2S,3R,5S)-2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 173040304
[3-(2-tert-butylsilyloxypropan-2-yl)-4-(oxan-2-yloxy)-2-[2-(6-oxooxan-2-yl)ethyl]cyclopentyl] acetate
CID 173366023
CID 86757020
CID 86757020
(E)-7-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 87567584
(Z)-7-[(1R,2R,3R,5S)-2-(5,5-difluoro-4-oxooctyl)-3,5-bis(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 67703209
(Z)-8-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-bis(oxan-2-yloxy)cyclopentyl]oct-6-en-2-one
CID 70157877
(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-oct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15199063
methyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 11813017
(Z)-9-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]non-7-enoic acid
CID 59958215
7-[(1R,2R,3R,5S)-5-hydroxy-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 57264714
7-[(1S,2S,3S,5R)-2-(methylamino)-3-(oxan-2-yloxy)-5-phenylmethoxycyclopentyl]hept-5-enoic acid
CID 54567887
methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate
CID 123263619

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (CID 173366025) is (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is CC(=O)OC1CC(OC2CCCCO2)C(C(C)(C)O[SiH2]C(C)(C)C)C1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The InChIKey is VULZMJBGKFUKEM-CLFYSBASSA-N. The full InChI is InChI=1S/C26H46O7Si/c1-18(27)31-20-17-21(32-23-15-11-12-16-30-23)24(26(5,6)33-34-25(2,3)4)19(20)13-9-7-8-10-14-22(28)29/h7,9,19-21,23-24H,8,10-17,34H2,1-6H3,(H,28,29)/b9-7-.
What are the key properties of (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid has a molecular weight of 498.73 g/mol, XLogP of 4.76, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 173366025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).