(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol

C18H34O4Si — CID 89143894

IUPAC(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
SMILESC=C1[C@H](CC(C)(C)[Si](C)(C)O)C[C@H](OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C18H34O4Si/c1-13-14(12-18(2,3)23(4,5)20)10-15(11-16(13)19)22-17-8-6-7-9-21-17/h14-17,19-20H,1,6-12H2,2-5H3/t14-,15-,16+,17?/m0/s1
InChIKeyURFHGRWTICPGHF-PMRDEQMMSA-N
MW342.55 g/mol
LogP3.59
Rot. Bonds5

About (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol

(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol (PubChem CID 89143894) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
PubChem CID89143894
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
SMILESC=C1[C@H](CC(C)(C)[Si](C)(C)O)C[C@H](OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C18H34O4Si/c1-13-14(12-18(2,3)23(4,5)20)10-15(11-16(13)19)22-17-8-6-7-9-21-17/h14-17,19-20H,1,6-12H2,2-5H3/t14-,15-,16+,17?/m0/s1
InChIKeyURFHGRWTICPGHF-PMRDEQMMSA-N
XLogP3.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The IUPAC name of (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol (CID 89143894) is (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The canonical SMILES for (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol is C=C1[C@H](CC(C)(C)[Si](C)(C)O)C[C@H](OC2CCCCO2)C[C@H]1O.
What is the InChIKey of (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The InChIKey is URFHGRWTICPGHF-PMRDEQMMSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-13-14(12-18(2,3)23(4,5)20)10-15(11-16(13)19)22-17-8-6-7-9-21-17/h14-17,19-20H,1,6-12H2,2-5H3/t14-,15-,16+,17?/m0/s1.
What are the key properties of (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
(1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol has a molecular weight of 342.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol is sourced from PubChem (CID 89143894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).