1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol

C12H22O2 — CID 103558078

IUPAC1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)CC1(OC)CCC1
InChIInChI=1S/C12H22O2/c1-3-5-10-8-12(10,13)9-11(14-2)6-4-7-11/h10,13H,3-9H2,1-2H3
InChIKeyRAGVZUQDHRXITJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds5

About 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol

1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol (PubChem CID 103558078) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol
PubChem CID103558078
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)CC1(OC)CCC1
InChIInChI=1S/C12H22O2/c1-3-5-10-8-12(10,13)9-11(14-2)6-4-7-11/h10,13H,3-9H2,1-2H3
InChIKeyRAGVZUQDHRXITJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol (CID 103558078) is 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol is CCCC1CC1(O)CC1(OC)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol?
The InChIKey is RAGVZUQDHRXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-10-8-12(10,13)9-11(14-2)6-4-7-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol?
1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol is sourced from PubChem (CID 103558078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).