1-methoxy-1-propan-2-ylcyclopentane

C9H18O — CID 23384741

IUPAC1-methoxy-1-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1
InChIInChI=1S/C9H18O/c1-8(2)9(10-3)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyMCTJSCUCCWWDOO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds2

About 1-methoxy-1-propan-2-ylcyclopentane

1-methoxy-1-propan-2-ylcyclopentane (PubChem CID 23384741) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-methoxy-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-methoxy-1-propan-2-ylcyclopentane
PubChem CID23384741
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-methoxy-1-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1
InChIInChI=1S/C9H18O/c1-8(2)9(10-3)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyMCTJSCUCCWWDOO-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-propan-2-ylcyclopentane?
The IUPAC name of 1-methoxy-1-propan-2-ylcyclopentane (CID 23384741) is 1-methoxy-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1-methoxy-1-propan-2-ylcyclopentane?
The canonical SMILES for 1-methoxy-1-propan-2-ylcyclopentane is COC1(C(C)C)CCCC1.
What is the InChIKey of 1-methoxy-1-propan-2-ylcyclopentane?
The InChIKey is MCTJSCUCCWWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)9(10-3)6-4-5-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-1-propan-2-ylcyclopentane?
1-methoxy-1-propan-2-ylcyclopentane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-propan-2-ylcyclopentane is sourced from PubChem (CID 23384741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).