1,1-diethoxypropan-2-ylcyclohexane

C13H26O2 — CID 14745336

IUPAC1,1-diethoxypropan-2-ylcyclohexane
SMILESCCOC(OCC)C(C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3
InChIKeySOMZLRLAGKYUMY-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds6

About 1,1-diethoxypropan-2-ylcyclohexane

1,1-diethoxypropan-2-ylcyclohexane (PubChem CID 14745336) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-diethoxypropan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1-diethoxypropan-2-ylcyclohexane
PubChem CID14745336
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1,1-diethoxypropan-2-ylcyclohexane
SMILESCCOC(OCC)C(C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3
InChIKeySOMZLRLAGKYUMY-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
2-ethoxypropylcyclohexane
CID 57126788
(1-cyclopentyl-2,2-diethoxyethyl)hydrazine
CID 105246280
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
2-cyclohexylpropanal;1,1-diethoxyethane;ethene
CID 88595952
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
propane;propan-2-ylcyclopentane
CID 91615250
cyclopropane;1,1-diethoxyethane
CID 67020569

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxypropan-2-ylcyclohexane?
The IUPAC name of 1,1-diethoxypropan-2-ylcyclohexane (CID 14745336) is 1,1-diethoxypropan-2-ylcyclohexane.
What is the SMILES notation for 1,1-diethoxypropan-2-ylcyclohexane?
The canonical SMILES for 1,1-diethoxypropan-2-ylcyclohexane is CCOC(OCC)C(C)C1CCCCC1.
What is the InChIKey of 1,1-diethoxypropan-2-ylcyclohexane?
The InChIKey is SOMZLRLAGKYUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 1,1-diethoxypropan-2-ylcyclohexane?
1,1-diethoxypropan-2-ylcyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxypropan-2-ylcyclohexane is sourced from PubChem (CID 14745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).