(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane

C12H26Si — CID 175590279

IUPAC(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane
SMILESC=CC[SiH2]C(CC)(CC)C(C)CC
InChIInChI=1S/C12H26Si/c1-6-10-13-12(8-3,9-4)11(5)7-2/h6,11H,1,7-10,13H2,2-5H3
InChIKeyYLOCADQOWPNJKE-UHFFFAOYSA-N
MW198.43 g/mol
LogP3.78
Rot. Bonds7

About (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane

(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane (PubChem CID 175590279) has the molecular formula C12H26Si and a molecular weight of 198.43 g/mol. Its IUPAC name is (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane
PubChem CID175590279
Molecular FormulaC12H26Si
Molecular Weight198.43 g/mol
Exact Mass198.18
IUPAC Name(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane
SMILESC=CC[SiH2]C(CC)(CC)C(C)CC
InChIInChI=1S/C12H26Si/c1-6-10-13-12(8-3,9-4)11(5)7-2/h6,11H,1,7-10,13H2,2-5H3
InChIKeyYLOCADQOWPNJKE-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
2-butan-2-yl-2-hydroxy-3-methylpentanenitrile
CID 21399613
but-1-ene;2-methylbutane
CID 142013560
sodium;hydride;4-methylhex-1-ene
CID 173048656
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
4,4-diethyl-3-methylheptane
CID 53425832
4,4-diethyl-5-methylhex-1-ene
CID 23384984
2-butan-2-yl-2-ethylpropanedial
CID 173414465
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
3-ethyl-4,4,5-trimethylhex-1-ene
CID 22107331
4,5,6-trimethyloct-1-ene
CID 91354249
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane?
The IUPAC name of (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane (CID 175590279) is (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane.
What is the SMILES notation for (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane?
The canonical SMILES for (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane is C=CC[SiH2]C(CC)(CC)C(C)CC.
What is the InChIKey of (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane?
The InChIKey is YLOCADQOWPNJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26Si/c1-6-10-13-12(8-3,9-4)11(5)7-2/h6,11H,1,7-10,13H2,2-5H3.
What are the key properties of (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane?
(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane has a molecular weight of 198.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane is sourced from PubChem (CID 175590279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).