(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol

C18H36O3Si — CID 10882035

IUPAC(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol
SMILESC=C1CC[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O3Si/c1-12(2)18(5,6)22(7,8)21-11-14(4)15-10-9-13(3)16(19)17(15)20/h12,14-17,19-20H,3,9-11H2,1-2,4-8H3/t14-,15+,16+,17+/m1/s1
InChIKeyMJCUGGJXLNRYMW-QZWWFDLISA-N
MW328.57 g/mol
LogP3.97
Rot. Bonds6

About (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol

(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol (PubChem CID 10882035) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol
PubChem CID10882035
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol
SMILESC=C1CC[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O3Si/c1-12(2)18(5,6)22(7,8)21-11-14(4)15-10-9-13(3)16(19)17(15)20/h12,14-17,19-20H,3,9-11H2,1-2,4-8H3/t14-,15+,16+,17+/m1/s1
InChIKeyMJCUGGJXLNRYMW-QZWWFDLISA-N
XLogP3.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol?
The IUPAC name of (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol (CID 10882035) is (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol is C=C1CC[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol?
The InChIKey is MJCUGGJXLNRYMW-QZWWFDLISA-N. The full InChI is InChI=1S/C18H36O3Si/c1-12(2)18(5,6)22(7,8)21-11-14(4)15-10-9-13(3)16(19)17(15)20/h12,14-17,19-20H,3,9-11H2,1-2,4-8H3/t14-,15+,16+,17+/m1/s1.
What are the key properties of (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol?
(1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol has a molecular weight of 328.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-6-methylidenecyclohexane-1,2-diol is sourced from PubChem (CID 10882035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).