(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

C16H30O3Si — CID 10990189

IUPAC(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](O[C@H]1CC(=O)C=C[C@@H](O)C1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(17)7-8-15(18)10-16/h7-8,11-14,16-17H,9-10H2,1-6H3/t14-,16-/m1/s1
InChIKeyWVHYVLSEFABABN-GDBMZVCRSA-N
MW298.50 g/mol
LogP3.83
Rot. Bonds5

About (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (PubChem CID 10990189) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
PubChem CID10990189
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](O[C@H]1CC(=O)C=C[C@@H](O)C1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(17)7-8-15(18)10-16/h7-8,11-14,16-17H,9-10H2,1-6H3/t14-,16-/m1/s1
InChIKeyWVHYVLSEFABABN-GDBMZVCRSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 11817669
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
cis-(1R,4R)-2-propan-2-ylidene-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 102196549
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
(1'R,2'R,5'S,6'S)-8'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-one
CID 146020448
(3aS,6Z,8S,9aR)-8-hydroxy-2,2-dimethyl-4,8,9,9a-tetrahydro-3aH-cycloocta[d][1,3]dioxol-5-one
CID 101414101
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
CID 101073665
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate
CID 141308142
(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
CID 10856412
benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
CID 141135408

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The IUPAC name of (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (CID 10990189) is (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.
What is the SMILES notation for (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The canonical SMILES for (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is CC(C)[Si](O[C@H]1CC(=O)C=C[C@@H](O)C1)(C(C)C)C(C)C.
What is the InChIKey of (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The InChIKey is WVHYVLSEFABABN-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(17)7-8-15(18)10-16/h7-8,11-14,16-17H,9-10H2,1-6H3/t14-,16-/m1/s1.
What are the key properties of (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one has a molecular weight of 298.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is sourced from PubChem (CID 10990189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).