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

C8H16O2 — CID 106203926

IUPAC(2S)-1-(2-cyclopropylethoxy)propan-2-ol
SMILESC[C@H](O)COCCC1CC1
InChIInChI=1S/C8H16O2/c1-7(9)6-10-5-4-8-2-3-8/h7-9H,2-6H2,1H3/t7-/m0/s1
InChIKeyGUBJFUJKSMWDPV-ZETCQYMHSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds5

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

(2S)-1-(2-cyclopropylethoxy)propan-2-ol (PubChem CID 106203926) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-1-(2-cyclopropylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-cyclopropylethoxy)propan-2-ol
PubChem CID106203926
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-1-(2-cyclopropylethoxy)propan-2-ol
SMILESC[C@H](O)COCCC1CC1
InChIInChI=1S/C8H16O2/c1-7(9)6-10-5-4-8-2-3-8/h7-9H,2-6H2,1H3/t7-/m0/s1
InChIKeyGUBJFUJKSMWDPV-ZETCQYMHSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
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-cyclobutylethoxy)propan-2-ol
CID 106204019
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol
CID 163885920
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
(2S)-1-butoxypropan-2-ol
CID 54289557
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 106206822

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclopropylethoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-cyclopropylethoxy)propan-2-ol (CID 106203926) is (2S)-1-(2-cyclopropylethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-cyclopropylethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-cyclopropylethoxy)propan-2-ol is C[C@H](O)COCCC1CC1.
What is the InChIKey of (2S)-1-(2-cyclopropylethoxy)propan-2-ol?
The InChIKey is GUBJFUJKSMWDPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(9)6-10-5-4-8-2-3-8/h7-9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-cyclopropylethoxy)propan-2-ol?
(2S)-1-(2-cyclopropylethoxy)propan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclopropylethoxy)propan-2-ol is sourced from PubChem (CID 106203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).