1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane

C14H28O2 — CID 137452893

IUPAC1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane
SMILESCOC(C)(C)CC1CCCC(OC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)16-13-8-6-7-12(9-13)10-14(3,4)15-5/h11-13H,6-10H2,1-5H3
InChIKeySJSZWOIIGDZODE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane

1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane (PubChem CID 137452893) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane
PubChem CID137452893
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane
SMILESCOC(C)(C)CC1CCCC(OC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)16-13-8-6-7-12(9-13)10-14(3,4)15-5/h11-13H,6-10H2,1-5H3
InChIKeySJSZWOIIGDZODE-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
CID 67843504
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
1-(3-methoxycyclohexyl)propan-2-ol
CID 79424348
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol
CID 58469090

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane (CID 137452893) is 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane is COC(C)(C)CC1CCCC(OC(C)C)C1.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane?
The InChIKey is SJSZWOIIGDZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)16-13-8-6-7-12(9-13)10-14(3,4)15-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane?
1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane is sourced from PubChem (CID 137452893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).