ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane

C14H30O2 — CID 166481686

IUPACethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
SMILESCC.COCCOC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O2.C2H6/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyIUUBBEDOJZJHSU-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.89
Rot. Bonds5

About ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane

ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane (PubChem CID 166481686) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
PubChem CID166481686
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nameethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
SMILESCC.COCCOC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O2.C2H6/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyIUUBBEDOJZJHSU-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The IUPAC name of ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane (CID 166481686) is ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane.
What is the SMILES notation for ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The canonical SMILES for ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane is CC.COCCOC1CCC(C(C)C)CC1.
What is the InChIKey of ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The InChIKey is IUUBBEDOJZJHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C2H6/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-2/h10-12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane has a molecular weight of 230.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 166481686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).