cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol

C11H22O2 — CID 102019528

IUPACcis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@]1(O)OCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-10-9-11(10,12)13-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyZEYLWKKRGXLIMP-WDEREUQCSA-N
MW186.29 g/mol
LogP2.70
Rot. Bonds7

About cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol

cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol (PubChem CID 102019528) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
PubChem CID102019528
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namecis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@]1(O)OCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-10-9-11(10,12)13-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyZEYLWKKRGXLIMP-WDEREUQCSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1,1-dichloro-2-octylcyclopropane
CID 10799099
1,1-dibromo-2-octylcyclopropane
CID 2780238
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
6-decyladamantane-1,3-diol
CID 139994712
2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
5-decyl-1-methylidene-1-silaspiro[2.2]pentane
CID 169011665
2,6-dihexylspiro[3.3]heptane
CID 58679549

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol (CID 102019528) is cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol is CCCCCC[C@H]1C[C@@]1(O)OCC.
What is the InChIKey of cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol?
The InChIKey is ZEYLWKKRGXLIMP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-8-10-9-11(10,12)13-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol?
cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol is sourced from PubChem (CID 102019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).