[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol

C18H30O2Si — CID 134959690

IUPAC[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H]1[C@H]1OC/C(=C\[Si](C)(C)C)[C@@H]1CO
InChIInChI=1S/C18H30O2Si/c1-12(2)15-8-7-13(3)17(15)18-16(9-19)14(10-20-18)11-21(4,5)6/h7,11,15-19H,1,8-10H2,2-6H3/b14-11+/t15-,16-,17-,18-/m0/s1
InChIKeyWUOXWFFXPZBOBT-PHZANAKRSA-N
MW306.52 g/mol
LogP3.96
Rot. Bonds4

About [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol

[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol (PubChem CID 134959690) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol
PubChem CID134959690
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H]1[C@H]1OC/C(=C\[Si](C)(C)C)[C@@H]1CO
InChIInChI=1S/C18H30O2Si/c1-12(2)15-8-7-13(3)17(15)18-16(9-19)14(10-20-18)11-21(4,5)6/h7,11,15-19H,1,8-10H2,2-6H3/b14-11+/t15-,16-,17-,18-/m0/s1
InChIKeyWUOXWFFXPZBOBT-PHZANAKRSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.96
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 [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol?
The IUPAC name of [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol (CID 134959690) is [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol.
What is the SMILES notation for [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol?
The canonical SMILES for [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol is C=C(C)[C@@H]1CC=C(C)[C@@H]1[C@H]1OC/C(=C\[Si](C)(C)C)[C@@H]1CO.
What is the InChIKey of [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol?
The InChIKey is WUOXWFFXPZBOBT-PHZANAKRSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-12(2)15-8-7-13(3)17(15)18-16(9-19)14(10-20-18)11-21(4,5)6/h7,11,15-19H,1,8-10H2,2-6H3/b14-11+/t15-,16-,17-,18-/m0/s1.
What are the key properties of [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol?
[(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol has a molecular weight of 306.52 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4Z)-2-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-4-(trimethylsilylmethylidene)oxolan-3-yl]methanol is sourced from PubChem (CID 134959690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).