bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)

C21H42O2SiTi+2 — CID 22864915

IUPACbis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)
SMILESC1CCCC1.C1CCCC1.C=C[C@H](O)[C@H](C)/C(=C/C)O[Si](C)(C)C.[Ti+2]
InChIInChI=1S/C11H22O2Si.2C5H10.Ti/c1-7-10(12)9(3)11(8-2)13-14(4,5)6;2*1-2-4-5-3-1;/h7-10,12H,1H2,2-6H3;2*1-5H2;/q;;;+2/b11-8-;;;/t9-,10-;;;/m0.../s1
InChIKeyWBGUXSPCJQCMGO-JZYPRWCFSA-N
MW402.52 g/mol
LogP6.82
Rot. Bonds5

About bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)

bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+) (PubChem CID 22864915) has the molecular formula C21H42O2SiTi+2 and a molecular weight of 402.52 g/mol. Its IUPAC name is bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+).

Molecular Properties

Compound Namebis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)
PubChem CID22864915
Molecular FormulaC21H42O2SiTi+2
Molecular Weight402.52 g/mol
Exact Mass402.24
IUPAC Namebis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)
SMILESC1CCCC1.C1CCCC1.C=C[C@H](O)[C@H](C)/C(=C/C)O[Si](C)(C)C.[Ti+2]
InChIInChI=1S/C11H22O2Si.2C5H10.Ti/c1-7-10(12)9(3)11(8-2)13-14(4,5)6;2*1-2-4-5-3-1;/h7-10,12H,1H2,2-6H3;2*1-5H2;/q;;;+2/b11-8-;;;/t9-,10-;;;/m0.../s1
InChIKeyWBGUXSPCJQCMGO-JZYPRWCFSA-N
XLogP6.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)?
The IUPAC name of bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+) (CID 22864915) is bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+).
What is the SMILES notation for bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)?
The canonical SMILES for bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+) is C1CCCC1.C1CCCC1.C=C[C@H](O)[C@H](C)/C(=C/C)O[Si](C)(C)C.[Ti+2].
What is the InChIKey of bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)?
The InChIKey is WBGUXSPCJQCMGO-JZYPRWCFSA-N. The full InChI is InChI=1S/C11H22O2Si.2C5H10.Ti/c1-7-10(12)9(3)11(8-2)13-14(4,5)6;2*1-2-4-5-3-1;/h7-10,12H,1H2,2-6H3;2*1-5H2;/q;;;+2/b11-8-;;;/t9-,10-;;;/m0.../s1.
What are the key properties of bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)?
bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+) has a molecular weight of 402.52 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+) is sourced from PubChem (CID 22864915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).