3-methylideneoct-1-ynyl-tri(propan-2-yl)silane

C18H34Si — CID 102322019

IUPAC3-methylideneoct-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC
InChIInChI=1S/C18H34Si/c1-9-10-11-12-18(8)13-14-19(15(2)3,16(4)5)17(6)7/h15-17H,8-12H2,1-7H3
InChIKeyLJZUFVLTGLSTAB-UHFFFAOYSA-N
MW278.56 g/mol
LogP6.34
Rot. Bonds7

About 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane

3-methylideneoct-1-ynyl-tri(propan-2-yl)silane (PubChem CID 102322019) has the molecular formula C18H34Si and a molecular weight of 278.56 g/mol. Its IUPAC name is 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-methylideneoct-1-ynyl-tri(propan-2-yl)silane
PubChem CID102322019
Molecular FormulaC18H34Si
Molecular Weight278.56 g/mol
Exact Mass278.24
IUPAC Name3-methylideneoct-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC
InChIInChI=1S/C18H34Si/c1-9-10-11-12-18(8)13-14-19(15(2)3,16(4)5)17(6)7/h15-17H,8-12H2,1-7H3
InChIKeyLJZUFVLTGLSTAB-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.56
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

[(Z)-3-fluorooct-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10684340
[(Z)-3-pentyl-4-phenylsulfanylnon-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 139252406
2-methylidenehexadecanenitrile
CID 15496090
3-methylidenedodec-1-yne
CID 101018984
9-methylidene-N-propan-2-yloctadec-10-ynamide
CID 89126173
henicos-1-en-2-ol
CID 90735098
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
dec-1-en-2-yl(trimethyl)silane
CID 11665658
2-methyl-4-methylidenenonanenitrile
CID 139366758
[3-methylidene-1-tri(propan-2-yl)silyloxyundec-4-yn-6-yl] acetate
CID 11618142
2-methyl-5-methylideneundecane
CID 54320712

Frequently Asked Questions

What is the IUPAC name of 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane (CID 102322019) is 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC.
What is the InChIKey of 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is LJZUFVLTGLSTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Si/c1-9-10-11-12-18(8)13-14-19(15(2)3,16(4)5)17(6)7/h15-17H,8-12H2,1-7H3.
What are the key properties of 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane?
3-methylideneoct-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 278.56 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneoct-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102322019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).