(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol

C17H32OSi — CID 101455155

IUPAC(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
SMILESC=C[C@@H]1C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1
InChIInChI=1S/C17H32OSi/c1-7-15-8-10-17(3,14(2)9-11-18)16(12-15)13-19(4,5)6/h7,12,14-15,18H,1,8-11,13H2,2-6H3/t14-,15+,17+/m1/s1
InChIKeyRNOFVFMUSJOKCT-VYDXJSESSA-N
MW280.53 g/mol
LogP4.87
Rot. Bonds6

About (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol

(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol (PubChem CID 101455155) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
PubChem CID101455155
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
SMILESC=C[C@@H]1C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1
InChIInChI=1S/C17H32OSi/c1-7-15-8-10-17(3,14(2)9-11-18)16(12-15)13-19(4,5)6/h7,12,14-15,18H,1,8-11,13H2,2-6H3/t14-,15+,17+/m1/s1
InChIKeyRNOFVFMUSJOKCT-VYDXJSESSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 10420734
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The IUPAC name of (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol (CID 101455155) is (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol is C=C[C@@H]1C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1.
What is the InChIKey of (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The InChIKey is RNOFVFMUSJOKCT-VYDXJSESSA-N. The full InChI is InChI=1S/C17H32OSi/c1-7-15-8-10-17(3,14(2)9-11-18)16(12-15)13-19(4,5)6/h7,12,14-15,18H,1,8-11,13H2,2-6H3/t14-,15+,17+/m1/s1.
What are the key properties of (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol has a molecular weight of 280.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol is sourced from PubChem (CID 101455155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).