1-methyl-3-propan-2-yloxycyclohexane

C10H20O — CID 5319690

IUPAC1-methyl-3-propan-2-yloxycyclohexane
SMILESCC1CCCC(OC(C)C)C1
InChIInChI=1S/C10H20O/c1-8(2)11-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyLXJQGSJHOKQAPO-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds2

About 1-methyl-3-propan-2-yloxycyclohexane

1-methyl-3-propan-2-yloxycyclohexane (PubChem CID 5319690) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-methyl-3-propan-2-yloxycyclohexane
PubChem CID5319690
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-methyl-3-propan-2-yloxycyclohexane
SMILESCC1CCCC(OC(C)C)C1
InChIInChI=1S/C10H20O/c1-8(2)11-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyLXJQGSJHOKQAPO-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yloxycyclohexane?
The IUPAC name of 1-methyl-3-propan-2-yloxycyclohexane (CID 5319690) is 1-methyl-3-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-methyl-3-propan-2-yloxycyclohexane?
The canonical SMILES for 1-methyl-3-propan-2-yloxycyclohexane is CC1CCCC(OC(C)C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yloxycyclohexane?
The InChIKey is LXJQGSJHOKQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)11-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yloxycyclohexane?
1-methyl-3-propan-2-yloxycyclohexane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yloxycyclohexane is sourced from PubChem (CID 5319690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).