2-propan-2-yloxyethylcycloheptane

C12H24O — CID 123201160

IUPAC2-propan-2-yloxyethylcycloheptane
SMILESCC(C)OCCC1CCCCCC1
InChIInChI=1S/C12H24O/c1-11(2)13-10-9-12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyYOQFWMHECATNQH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds4

About 2-propan-2-yloxyethylcycloheptane

2-propan-2-yloxyethylcycloheptane (PubChem CID 123201160) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-propan-2-yloxyethylcycloheptane.

Molecular Properties

Compound Name2-propan-2-yloxyethylcycloheptane
PubChem CID123201160
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-propan-2-yloxyethylcycloheptane
SMILESCC(C)OCCC1CCCCCC1
InChIInChI=1S/C12H24O/c1-11(2)13-10-9-12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyYOQFWMHECATNQH-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
CID 134212815
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
CID 170688887
4-(2-cyclohexylethoxy)hexan-3-ol
CID 143882427
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
2-(2-cyclobutylethoxy)-N-methylpropan-1-amine
CID 106201858
2-(2-cyclobutylethoxy)-N-propan-2-ylpropan-1-amine
CID 106206091
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane
CID 59645062
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethylcycloheptane?
The IUPAC name of 2-propan-2-yloxyethylcycloheptane (CID 123201160) is 2-propan-2-yloxyethylcycloheptane.
What is the SMILES notation for 2-propan-2-yloxyethylcycloheptane?
The canonical SMILES for 2-propan-2-yloxyethylcycloheptane is CC(C)OCCC1CCCCCC1.
What is the InChIKey of 2-propan-2-yloxyethylcycloheptane?
The InChIKey is YOQFWMHECATNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2)13-10-9-12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethylcycloheptane?
2-propan-2-yloxyethylcycloheptane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethylcycloheptane is sourced from PubChem (CID 123201160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).