1-methoxy-2-propan-2-yloxycyclopentane

C9H18O2 — CID 77170188

IUPAC1-methoxy-2-propan-2-yloxycyclopentane
SMILESCOC1CCCC1OC(C)C
InChIInChI=1S/C9H18O2/c1-7(2)11-9-6-4-5-8(9)10-3/h7-9H,4-6H2,1-3H3
InChIKeyDTPGOMCMXHUCHE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds3

About 1-methoxy-2-propan-2-yloxycyclopentane

1-methoxy-2-propan-2-yloxycyclopentane (PubChem CID 77170188) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-methoxy-2-propan-2-yloxycyclopentane.

Molecular Properties

Compound Name1-methoxy-2-propan-2-yloxycyclopentane
PubChem CID77170188
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-methoxy-2-propan-2-yloxycyclopentane
SMILESCOC1CCCC1OC(C)C
InChIInChI=1S/C9H18O2/c1-7(2)11-9-6-4-5-8(9)10-3/h7-9H,4-6H2,1-3H3
InChIKeyDTPGOMCMXHUCHE-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-propan-2-yloxycyclopentane?
The IUPAC name of 1-methoxy-2-propan-2-yloxycyclopentane (CID 77170188) is 1-methoxy-2-propan-2-yloxycyclopentane.
What is the SMILES notation for 1-methoxy-2-propan-2-yloxycyclopentane?
The canonical SMILES for 1-methoxy-2-propan-2-yloxycyclopentane is COC1CCCC1OC(C)C.
What is the InChIKey of 1-methoxy-2-propan-2-yloxycyclopentane?
The InChIKey is DTPGOMCMXHUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)11-9-6-4-5-8(9)10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-propan-2-yloxycyclopentane?
1-methoxy-2-propan-2-yloxycyclopentane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propan-2-yloxycyclopentane is sourced from PubChem (CID 77170188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).