4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol

C14H28O3 — CID 62708658

IUPAC4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
SMILESCC(C)OCCOC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O3/c1-10(2)12-5-6-13(15)14(9-12)17-8-7-16-11(3)4/h10-15H,5-9H2,1-4H3
InChIKeyTZFMZRMEKAGVSV-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.61
Rot. Bonds6

About 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol

4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol (PubChem CID 62708658) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
PubChem CID62708658
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
SMILESCC(C)OCCOC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O3/c1-10(2)12-5-6-13(15)14(9-12)17-8-7-16-11(3)4/h10-15H,5-9H2,1-4H3
InChIKeyTZFMZRMEKAGVSV-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol (CID 62708658) is 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol is CC(C)OCCOC1CC(C(C)C)CCC1O.
What is the InChIKey of 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol?
The InChIKey is TZFMZRMEKAGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(2)12-5-6-13(15)14(9-12)17-8-7-16-11(3)4/h10-15H,5-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol?
4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol is sourced from PubChem (CID 62708658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).