1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane

C16H32O — CID 162054720

IUPAC1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane
SMILESCOC1CCC(C(C)(C)CCC(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-15(2,3)11-12-16(4,5)13-7-9-14(17-6)10-8-13/h13-14H,7-12H2,1-6H3
InChIKeyYZAGYOXAUMLEJQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.04
Rot. Bonds4

About 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane

1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane (PubChem CID 162054720) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane
PubChem CID162054720
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane
SMILESCOC1CCC(C(C)(C)CCC(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-15(2,3)11-12-16(4,5)13-7-9-14(17-6)10-8-13/h13-14H,7-12H2,1-6H3
InChIKeyYZAGYOXAUMLEJQ-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4-methoxy-2-methylbutan-2-yl)cyclopentane
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1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
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1-(1-iodo-2-methylpropan-2-yl)oxy-4-methoxycyclohexane
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2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
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(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
CID 163687066
3-[(4-methoxycyclohexyl)methyl]piperidine
CID 84734618
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane?
The IUPAC name of 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane (CID 162054720) is 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane?
The canonical SMILES for 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane is COC1CCC(C(C)(C)CCC(C)(C)C)CC1.
What is the InChIKey of 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane?
The InChIKey is YZAGYOXAUMLEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-15(2,3)11-12-16(4,5)13-7-9-14(17-6)10-8-13/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane?
1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane has a molecular weight of 240.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane is sourced from PubChem (CID 162054720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).