CID 67436949

C12H18OSi — CID 67436949

IUPAC—
SMILESCCc1c(CC(C)C)cccc1[Si]O
InChIInChI=1S/C12H18OSi/c1-4-11-10(8-9(2)3)6-5-7-12(11)14-13/h5-7,9,13H,4,8H2,1-3H3
InChIKeyVSFDXVMWJMXPGU-UHFFFAOYSA-N
MW206.36 g/mol
LogP1.68
Rot. Bonds4

About CID 67436949

CID 67436949 (PubChem CID 67436949) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol.

Molecular Properties

Compound NameCID 67436949
PubChem CID67436949
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name—
SMILESCCc1c(CC(C)C)cccc1[Si]O
InChIInChI=1S/C12H18OSi/c1-4-11-10(8-9(2)3)6-5-7-12(11)14-13/h5-7,9,13H,4,8H2,1-3H3
InChIKeyVSFDXVMWJMXPGU-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-diethylphenyl)propan-2-amine
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2-decyl-3-(2-methylpropyl)phenol
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CID 66774589
6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174930100
CID 66773741
CID 66773741
2-(2-methylpropyl)phenol;propane
CID 158609255
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719

Frequently Asked Questions

What is the IUPAC name of CID 67436949?
The IUPAC name of CID 67436949 (CID 67436949) is not available.
What is the SMILES notation for CID 67436949?
The canonical SMILES for CID 67436949 is CCc1c(CC(C)C)cccc1[Si]O.
What is the InChIKey of CID 67436949?
The InChIKey is VSFDXVMWJMXPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-4-11-10(8-9(2)3)6-5-7-12(11)14-13/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of CID 67436949?
CID 67436949 has a molecular weight of 206.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67436949 is sourced from PubChem (CID 67436949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).