(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid

C18H34O4Si — CID 10593437

IUPAC(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]1[C@@H](O)C/C=C/CCCC(=O)O
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-13-14-12-15(14)16(19)10-8-6-7-9-11-17(20)21/h6,8,14-16,19H,7,9-13H2,1-5H3,(H,20,21)/b8-6+/t14-,15+,16-/m0/s1
InChIKeyLKHUPJKCUBCCRO-WCUAFRCNSA-N
MW342.55 g/mol
LogP4.21
Rot. Bonds10

About (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid

(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid (PubChem CID 10593437) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid.

Molecular Properties

Compound Name(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid
PubChem CID10593437
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]1[C@@H](O)C/C=C/CCCC(=O)O
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-13-14-12-15(14)16(19)10-8-6-7-9-11-17(20)21/h6,8,14-16,19H,7,9-13H2,1-5H3,(H,20,21)/b8-6+/t14-,15+,16-/m0/s1
InChIKeyLKHUPJKCUBCCRO-WCUAFRCNSA-N
XLogP4.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl (E,6S,7R)-7-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]-6-hydroxy-5-methyloct-3-enoate
CID 134970684
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389404
(Z)-7-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389407
(Z)-7-[(1R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389424
(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389591
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389594
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389737
(Z)-7-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389840
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389897
(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389977
(Z)-7-[(1R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389988
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390007

Frequently Asked Questions

What is the IUPAC name of (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid?
The IUPAC name of (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid (CID 10593437) is (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid.
What is the SMILES notation for (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid?
The canonical SMILES for (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]1[C@@H](O)C/C=C/CCCC(=O)O.
What is the InChIKey of (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid?
The InChIKey is LKHUPJKCUBCCRO-WCUAFRCNSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-13-14-12-15(14)16(19)10-8-6-7-9-11-17(20)21/h6,8,14-16,19H,7,9-13H2,1-5H3,(H,20,21)/b8-6+/t14-,15+,16-/m0/s1.
What are the key properties of (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid?
(E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid has a molecular weight of 342.55 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8S)-8-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-8-hydroxyoct-5-enoic acid is sourced from PubChem (CID 10593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).