(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol

C20H38O3Si — CID 70605464

IUPAC(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-8-9-10-11-16(21)12-13-17-15(2)19(14-18(17)22)23-24(6,7)20(3,4)5/h12-13,16-19,21-22H,2,8-11,14H2,1,3-7H3/t16-,17+,18+,19+/m0/s1
InChIKeyBLQHZHGACLJMOY-WJFTUGDTSA-N
MW354.61 g/mol
LogP4.81
Rot. Bonds8

About (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol

(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol (PubChem CID 70605464) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol
PubChem CID70605464
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-8-9-10-11-16(21)12-13-17-15(2)19(14-18(17)22)23-24(6,7)20(3,4)5/h12-13,16-19,21-22H,2,8-11,14H2,1,3-7H3/t16-,17+,18+,19+/m0/s1
InChIKeyBLQHZHGACLJMOY-WJFTUGDTSA-N
XLogP4.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol?
The IUPAC name of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol (CID 70605464) is (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol?
The canonical SMILES for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol is C=C1[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol?
The InChIKey is BLQHZHGACLJMOY-WJFTUGDTSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-8-9-10-11-16(21)12-13-17-15(2)19(14-18(17)22)23-24(6,7)20(3,4)5/h12-13,16-19,21-22H,2,8-11,14H2,1,3-7H3/t16-,17+,18+,19+/m0/s1.
What are the key properties of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol?
(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol has a molecular weight of 354.61 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 70605464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).