1-ethoxy-1-propylcyclohexane

C11H22O — CID 154221474

IUPAC1-ethoxy-1-propylcyclohexane
SMILESCCCC1(OCC)CCCCC1
InChIInChI=1S/C11H22O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-10H2,1-2H3
InChIKeyKVFTVQABHVORKF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds4

About 1-ethoxy-1-propylcyclohexane

1-ethoxy-1-propylcyclohexane (PubChem CID 154221474) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-ethoxy-1-propylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-propylcyclohexane
PubChem CID154221474
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-ethoxy-1-propylcyclohexane
SMILESCCCC1(OCC)CCCCC1
InChIInChI=1S/C11H22O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-10H2,1-2H3
InChIKeyKVFTVQABHVORKF-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxaspiro(4.5)decane
CID 301168
Cyclohexane, (1-methoxyethyl)-
CID 106834
1-Oxaspiro(3.5)nonane
CID 243293
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
(2-Methoxyethyl)cyclohexane
CID 557611
2-Methyl-1-oxaspiro[2.5]octane
CID 10855461
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
1-Methoxy-1-methylcyclohexane
CID 13111011
2,2-Dibutyloxirane
CID 14836302
1-Oxaspiro[5.5]undecane
CID 15620796

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-propylcyclohexane?
The IUPAC name of 1-ethoxy-1-propylcyclohexane (CID 154221474) is 1-ethoxy-1-propylcyclohexane.
What is the SMILES notation for 1-ethoxy-1-propylcyclohexane?
The canonical SMILES for 1-ethoxy-1-propylcyclohexane is CCCC1(OCC)CCCCC1.
What is the InChIKey of 1-ethoxy-1-propylcyclohexane?
The InChIKey is KVFTVQABHVORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-10H2,1-2H3.
What are the key properties of 1-ethoxy-1-propylcyclohexane?
1-ethoxy-1-propylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-propylcyclohexane is sourced from PubChem (CID 154221474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).