(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol

C17H30OSi — CID 162404506

IUPAC(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=C(C)C[C@@H](C(=C)C)C1)C[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-13(2)16-8-14(3)9-17(18,11-16)10-15(4)12-19(5,6)7/h9,16,18H,1,4,8,10-12H2,2-3,5-7H3/t16-,17?/m1/s1
InChIKeyLHWLUOXCZBFKCU-TZHYSIJRSA-N
MW278.51 g/mol
LogP4.93
Rot. Bonds5

About (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol

(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol (PubChem CID 162404506) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
PubChem CID162404506
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=C(C)C[C@@H](C(=C)C)C1)C[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-13(2)16-8-14(3)9-17(18,11-16)10-15(4)12-19(5,6)7/h9,16,18H,1,4,8,10-12H2,2-3,5-7H3/t16-,17?/m1/s1
InChIKeyLHWLUOXCZBFKCU-TZHYSIJRSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.93
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'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol (CID 162404506) is (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol is C=C(CC1(O)C=C(C)C[C@@H](C(=C)C)C1)C[Si](C)(C)C.
What is the InChIKey of (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is LHWLUOXCZBFKCU-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H30OSi/c1-13(2)16-8-14(3)9-17(18,11-16)10-15(4)12-19(5,6)7/h9,16,18H,1,4,8,10-12H2,2-3,5-7H3/t16-,17?/m1/s1.
What are the key properties of (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
(5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 278.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 162404506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).