cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol

C18H36O2Si — CID 174136941

IUPACcis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(O)CC[C@@H]1C
InChIInChI=1S/C18H36O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15-16,19H,1,9-14H2,2-7H3/t15-,16?,18+/m0/s1
InChIKeyCEIYUSRMXYHQSB-NANQTSIFSA-N
MW312.57 g/mol
LogP5.14
Rot. Bonds7

About cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol

cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol (PubChem CID 174136941) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol
PubChem CID174136941
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namecis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(O)CC[C@@H]1C
InChIInChI=1S/C18H36O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15-16,19H,1,9-14H2,2-7H3/t15-,16?,18+/m0/s1
InChIKeyCEIYUSRMXYHQSB-NANQTSIFSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol?
The IUPAC name of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol (CID 174136941) is cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol is C=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(O)CC[C@@H]1C.
What is the InChIKey of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol?
The InChIKey is CEIYUSRMXYHQSB-NANQTSIFSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15-16,19H,1,9-14H2,2-7H3/t15-,16?,18+/m0/s1.
What are the key properties of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol?
cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 174136941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).