(1-cyclohexyloxy-2-methylpropoxy)cyclohexane

C16H30O2 — CID 20788615

IUPAC(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
SMILESCC(C)C(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H30O2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-16H,3-12H2,1-2H3
InChIKeyMZUQUQBRYTVSBP-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.67
Rot. Bonds5

About (1-cyclohexyloxy-2-methylpropoxy)cyclohexane

(1-cyclohexyloxy-2-methylpropoxy)cyclohexane (PubChem CID 20788615) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (1-cyclohexyloxy-2-methylpropoxy)cyclohexane.

Molecular Properties

Compound Name(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
PubChem CID20788615
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
SMILESCC(C)C(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H30O2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-16H,3-12H2,1-2H3
InChIKeyMZUQUQBRYTVSBP-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.67
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

propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
1-propan-2-yloxyethoxycycloundecane
CID 21496393
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123735194
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
2,5-dimethylhex-5-en-3-yloxycyclohexane
CID 123198142
3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
CID 175276531
cyclohexyloxy(1-methoxyethoxy)methanol
CID 155312162
1-cyclohexyloxyethyl acetate
CID 58944366
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
1-cyclohexyloxypropan-1-ol
CID 22483716
3-(1-cyclohexyloxy-2-methylpropoxy)-4-(trifluoromethyl)benzoic acid
CID 170686570

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-2-methylpropoxy)cyclohexane?
The IUPAC name of (1-cyclohexyloxy-2-methylpropoxy)cyclohexane (CID 20788615) is (1-cyclohexyloxy-2-methylpropoxy)cyclohexane.
What is the SMILES notation for (1-cyclohexyloxy-2-methylpropoxy)cyclohexane?
The canonical SMILES for (1-cyclohexyloxy-2-methylpropoxy)cyclohexane is CC(C)C(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of (1-cyclohexyloxy-2-methylpropoxy)cyclohexane?
The InChIKey is MZUQUQBRYTVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-16H,3-12H2,1-2H3.
What are the key properties of (1-cyclohexyloxy-2-methylpropoxy)cyclohexane?
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxy-2-methylpropoxy)cyclohexane is sourced from PubChem (CID 20788615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).