(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol

C18H34O2Si — CID 57144497

IUPAC(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol
SMILESC[C@H](C=CCO)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C18H34O2Si/c1-14(8-7-13-19)15-10-11-16-17(20-21(3,4)5)9-6-12-18(15,16)2/h7-8,14-17,19H,6,9-13H2,1-5H3/t14-,15-,16?,17?,18-/m1/s1
InChIKeyJFDJIPRKJUXISP-BNEJOAPWSA-N
MW310.55 g/mol
LogP4.61
Rot. Bonds5

About (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol

(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol (PubChem CID 57144497) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol
PubChem CID57144497
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol
SMILESC[C@H](C=CCO)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C18H34O2Si/c1-14(8-7-13-19)15-10-11-16-17(20-21(3,4)5)9-6-12-18(15,16)2/h7-8,14-17,19H,6,9-13H2,1-5H3/t14-,15-,16?,17?,18-/m1/s1
InChIKeyJFDJIPRKJUXISP-BNEJOAPWSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol?
The IUPAC name of (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol (CID 57144497) is (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol.
What is the SMILES notation for (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol?
The canonical SMILES for (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol is C[C@H](C=CCO)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C.
What is the InChIKey of (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol?
The InChIKey is JFDJIPRKJUXISP-BNEJOAPWSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14(8-7-13-19)15-10-11-16-17(20-21(3,4)5)9-6-12-18(15,16)2/h7-8,14-17,19H,6,9-13H2,1-5H3/t14-,15-,16?,17?,18-/m1/s1.
What are the key properties of (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol?
(4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-en-1-ol is sourced from PubChem (CID 57144497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).