(2S)-1-(2-cyclobutylethoxy)propan-2-ol

C9H18O2 — CID 106204019

IUPAC(2S)-1-(2-cyclobutylethoxy)propan-2-ol
SMILESC[C@H](O)COCCC1CCC1
InChIInChI=1S/C9H18O2/c1-8(10)7-11-6-5-9-3-2-4-9/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeySOBXLFNGQKRUFW-QMMMGPOBSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds5

About (2S)-1-(2-cyclobutylethoxy)propan-2-ol

(2S)-1-(2-cyclobutylethoxy)propan-2-ol (PubChem CID 106204019) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-1-(2-cyclobutylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-cyclobutylethoxy)propan-2-ol
PubChem CID106204019
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S)-1-(2-cyclobutylethoxy)propan-2-ol
SMILESC[C@H](O)COCCC1CCC1
InChIInChI=1S/C9H18O2/c1-8(10)7-11-6-5-9-3-2-4-9/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeySOBXLFNGQKRUFW-QMMMGPOBSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 106206822
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
CID 106204662
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol
CID 163885920
2-propan-2-yloxyethylcycloheptane
CID 123201160
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
1-(3-cyclohexylbutoxy)propan-2-ol
CID 67633450
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
(2S)-1-butoxypropan-2-ol
CID 54289557

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclobutylethoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-cyclobutylethoxy)propan-2-ol (CID 106204019) is (2S)-1-(2-cyclobutylethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-cyclobutylethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-cyclobutylethoxy)propan-2-ol is C[C@H](O)COCCC1CCC1.
What is the InChIKey of (2S)-1-(2-cyclobutylethoxy)propan-2-ol?
The InChIKey is SOBXLFNGQKRUFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(10)7-11-6-5-9-3-2-4-9/h8-10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-cyclobutylethoxy)propan-2-ol?
(2S)-1-(2-cyclobutylethoxy)propan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclobutylethoxy)propan-2-ol is sourced from PubChem (CID 106204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).