(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol

C18H34O2Si — CID 67907260

IUPAC(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol
SMILESC=C[C@](C)(O)CCC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H34O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,10-13H2,2-8H3/t15?,18-/m0/s1
InChIKeySLDCFIAUFSRLDG-PKHIMPSTSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds6

About (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol

(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol (PubChem CID 67907260) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol
PubChem CID67907260
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol
SMILESC=C[C@](C)(O)CCC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H34O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,10-13H2,2-8H3/t15?,18-/m0/s1
InChIKeySLDCFIAUFSRLDG-PKHIMPSTSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
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 (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol?
The IUPAC name of (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol (CID 67907260) is (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol.
What is the SMILES notation for (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol?
The canonical SMILES for (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol is C=C[C@](C)(O)CCC1=C(C)CC(O[Si](C)(C)C)CC1(C)C.
What is the InChIKey of (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol?
The InChIKey is SLDCFIAUFSRLDG-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,10-13H2,2-8H3/t15?,18-/m0/s1.
What are the key properties of (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol?
(3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol has a molecular weight of 310.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 67907260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).