cyclobutyl-cyclopropyl-methoxymethanol

C9H16O2 — CID 57209376

IUPACcyclobutyl-cyclopropyl-methoxymethanol
SMILESCOC(O)(C1CCC1)C1CC1
InChIInChI=1S/C9H16O2/c1-11-9(10,8-5-6-8)7-3-2-4-7/h7-8,10H,2-6H2,1H3
InChIKeyWZLZDVDJODEVMC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.53
Rot. Bonds3

About cyclobutyl-cyclopropyl-methoxymethanol

cyclobutyl-cyclopropyl-methoxymethanol (PubChem CID 57209376) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cyclobutyl-cyclopropyl-methoxymethanol.

Molecular Properties

Compound Namecyclobutyl-cyclopropyl-methoxymethanol
PubChem CID57209376
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecyclobutyl-cyclopropyl-methoxymethanol
SMILESCOC(O)(C1CCC1)C1CC1
InChIInChI=1S/C9H16O2/c1-11-9(10,8-5-6-8)7-3-2-4-7/h7-8,10H,2-6H2,1H3
InChIKeyWZLZDVDJODEVMC-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trans-(2S,3S)-2,3-ditert-butyl-1-methoxycyclopropan-1-ol
CID 162399740
2-Methoxy-3,7-dimethyloctan-2-ol
CID 175460697
1-Methoxy-2-pentylcyclopropan-1-ol
CID 13086990
1-Methoxy-2,3-di(propan-2-yl)cyclopropan-1-ol
CID 15701349
1-[(1-Methoxycyclobutyl)methyl]cyclopropan-1-ol
CID 103558075
1-[(1-Methoxycyclobutyl)methyl]-2-methylcyclopropan-1-ol
CID 103558076
2-Ethyl-1-[(1-methoxycyclobutyl)methyl]cyclopropan-1-ol
CID 103558077
1-[(1-Methoxycyclobutyl)methyl]-2-propylcyclopropan-1-ol
CID 103558078
1-(Cyclopropylmethyl)-3-methylcyclobutan-1-ol
CID 103564437

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-cyclopropyl-methoxymethanol?
The IUPAC name of cyclobutyl-cyclopropyl-methoxymethanol (CID 57209376) is cyclobutyl-cyclopropyl-methoxymethanol.
What is the SMILES notation for cyclobutyl-cyclopropyl-methoxymethanol?
The canonical SMILES for cyclobutyl-cyclopropyl-methoxymethanol is COC(O)(C1CCC1)C1CC1.
What is the InChIKey of cyclobutyl-cyclopropyl-methoxymethanol?
The InChIKey is WZLZDVDJODEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-11-9(10,8-5-6-8)7-3-2-4-7/h7-8,10H,2-6H2,1H3.
What are the key properties of cyclobutyl-cyclopropyl-methoxymethanol?
cyclobutyl-cyclopropyl-methoxymethanol has a molecular weight of 156.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-cyclopropyl-methoxymethanol is sourced from PubChem (CID 57209376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).