cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol

C14H26O2 — CID 91159973

IUPACcyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol
SMILESCCC(C)CC1(C(O)OC2CCC2)CC1C
InChIInChI=1S/C14H26O2/c1-4-10(2)8-14(9-11(14)3)13(15)16-12-6-5-7-12/h10-13,15H,4-9H2,1-3H3
InChIKeyPBJJDCCRRAKCQU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.34
Rot. Bonds6

About cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol

cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol (PubChem CID 91159973) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol.

Molecular Properties

Compound Namecyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol
PubChem CID91159973
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namecyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol
SMILESCCC(C)CC1(C(O)OC2CCC2)CC1C
InChIInChI=1S/C14H26O2/c1-4-10(2)8-14(9-11(14)3)13(15)16-12-6-5-7-12/h10-13,15H,4-9H2,1-3H3
InChIKeyPBJJDCCRRAKCQU-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-methylbutyl)cyclopropan-1-ol
CID 114876636
1-cyclohexyloxypropan-1-ol
CID 22483716
trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine
CID 155001178
cyclobutyloxymethanediol
CID 175474917
(R)-[(1R,2R)-1-(aminomethyl)-2-methylcyclopropyl]-cyclopentylmethanol
CID 124522944
4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol
CID 165491600
2-(3-methoxycyclohexyl)pentan-3-ol
CID 79436910
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
3-methyl-1-(2-methylbutyl)cyclopentan-1-amine
CID 64515762
[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol
CID 102551256
1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
CID 123778279
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973

Frequently Asked Questions

What is the IUPAC name of cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol?
The IUPAC name of cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol (CID 91159973) is cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol.
What is the SMILES notation for cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol?
The canonical SMILES for cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol is CCC(C)CC1(C(O)OC2CCC2)CC1C.
What is the InChIKey of cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol?
The InChIKey is PBJJDCCRRAKCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-10(2)8-14(9-11(14)3)13(15)16-12-6-5-7-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol?
cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol has a molecular weight of 226.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxy-[2-methyl-1-(2-methylbutyl)cyclopropyl]methanol is sourced from PubChem (CID 91159973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).