CID 88668128

C16H34MgO — CID 88668128

IUPAC—
SMILESCCC(COCC(CC)CC(C)C)CC(C)C.[Mg]
InChIInChI=1S/C16H34O.Mg/c1-7-15(9-13(3)4)11-17-12-16(8-2)10-14(5)6;/h13-16H,7-12H2,1-6H3;
InChIKeyYWKYTLQSIWRHFF-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.77
Rot. Bonds10

About CID 88668128

CID 88668128 (PubChem CID 88668128) has the molecular formula C16H34MgO and a molecular weight of 266.75 g/mol.

Molecular Properties

Compound NameCID 88668128
PubChem CID88668128
Molecular FormulaC16H34MgO
Molecular Weight266.75 g/mol
Exact Mass266.25
IUPAC Name—
SMILESCCC(COCC(CC)CC(C)C)CC(C)C.[Mg]
InChIInChI=1S/C16H34O.Mg/c1-7-15(9-13(3)4)11-17-12-16(8-2)10-14(5)6;/h13-16H,7-12H2,1-6H3;
InChIKeyYWKYTLQSIWRHFF-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(ethoxymethyl)-N-ethyl-4-methylpentan-1-amine
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CID 91827254
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1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
CID 170161342
3-[(2-ethyl-4-hydroxyheptadecoxy)methyl]octadecan-5-ol
CID 87709168
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815

Frequently Asked Questions

What is the IUPAC name of CID 88668128?
The IUPAC name of CID 88668128 (CID 88668128) is not available.
What is the SMILES notation for CID 88668128?
The canonical SMILES for CID 88668128 is CCC(COCC(CC)CC(C)C)CC(C)C.[Mg].
What is the InChIKey of CID 88668128?
The InChIKey is YWKYTLQSIWRHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.Mg/c1-7-15(9-13(3)4)11-17-12-16(8-2)10-14(5)6;/h13-16H,7-12H2,1-6H3;.
What are the key properties of CID 88668128?
CID 88668128 has a molecular weight of 266.75 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88668128 is sourced from PubChem (CID 88668128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).