cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol

C10H18O3 — CID 54753453

IUPACcis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol
SMILESCC[C@@H]1C[C@]1(O)CC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-3-8-6-10(8,11)7-9(2)12-4-5-13-9/h8,11H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyFBILFFMZTAYSGO-SCZZXKLOSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds3

About cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol

cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol (PubChem CID 54753453) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol
PubChem CID54753453
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol
SMILESCC[C@@H]1C[C@]1(O)CC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-3-8-6-10(8,11)7-9(2)12-4-5-13-9/h8,11H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyFBILFFMZTAYSGO-SCZZXKLOSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol?
The IUPAC name of cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol (CID 54753453) is cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol is CC[C@@H]1C[C@]1(O)CC1(C)OCCO1.
What is the InChIKey of cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol?
The InChIKey is FBILFFMZTAYSGO-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8-6-10(8,11)7-9(2)12-4-5-13-9/h8,11H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol?
cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 54753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).