cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane

C9H18O — CID 137449477

IUPACcis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
SMILESCO[C@@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C9H18O/c1-7(2)8-5-4-6-9(8)10-3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyPEMPOPIJILJJDA-RKDXNWHRSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane

cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane (PubChem CID 137449477) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Namecis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
PubChem CID137449477
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namecis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
SMILESCO[C@@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C9H18O/c1-7(2)8-5-4-6-9(8)10-3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyPEMPOPIJILJJDA-RKDXNWHRSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane?
The IUPAC name of cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane (CID 137449477) is cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane.
What is the SMILES notation for cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane?
The canonical SMILES for cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane is CO[C@@H]1CCC[C@@H]1C(C)C.
What is the InChIKey of cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane?
The InChIKey is PEMPOPIJILJJDA-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8-5-4-6-9(8)10-3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane?
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane is sourced from PubChem (CID 137449477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).