(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol

C18H34O2Si — CID 101269829

IUPAC(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol
SMILES[2H]/C(CCCOC)=C(\C#C[Si](C)(C)C(C)(C)C)C(O)C(C)C
InChIInChI=1S/C18H34O2Si/c1-15(2)17(19)16(11-9-10-13-20-6)12-14-21(7,8)18(3,4)5/h11,15,17,19H,9-10,13H2,1-8H3/b16-11-/i11D
InChIKeyNKTXMSNORCZPSC-AJPISOOISA-N
MW311.56 g/mol
LogP4.41
Rot. Bonds6

About (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol

(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol (PubChem CID 101269829) has the molecular formula C18H34O2Si and a molecular weight of 311.56 g/mol. Its IUPAC name is (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol.

Molecular Properties

Compound Name(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol
PubChem CID101269829
Molecular FormulaC18H34O2Si
Molecular Weight311.56 g/mol
Exact Mass311.24
IUPAC Name(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol
SMILES[2H]/C(CCCOC)=C(\C#C[Si](C)(C)C(C)(C)C)C(O)C(C)C
InChIInChI=1S/C18H34O2Si/c1-15(2)17(19)16(11-9-10-13-20-6)12-14-21(7,8)18(3,4)5/h11,15,17,19H,9-10,13H2,1-8H3/b16-11-/i11D
InChIKeyNKTXMSNORCZPSC-AJPISOOISA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol?
The IUPAC name of (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol (CID 101269829) is (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol.
What is the SMILES notation for (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol?
The canonical SMILES for (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol is [2H]/C(CCCOC)=C(\C#C[Si](C)(C)C(C)(C)C)C(O)C(C)C.
What is the InChIKey of (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol?
The InChIKey is NKTXMSNORCZPSC-AJPISOOISA-N. The full InChI is InChI=1S/C18H34O2Si/c1-15(2)17(19)16(11-9-10-13-20-6)12-14-21(7,8)18(3,4)5/h11,15,17,19H,9-10,13H2,1-8H3/b16-11-/i11D.
What are the key properties of (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol?
(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol has a molecular weight of 311.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol is sourced from PubChem (CID 101269829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).