cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane

C12H22O — CID 15722604

IUPACcis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)[C@@]1(C)C[C@@]1(CCCC)OC
InChIInChI=1S/C12H22O/c1-6-7-8-12(13-5)9-11(12,4)10(2)3/h2,6-9H2,1,3-5H3/t11-,12-/m1/s1
InChIKeyHEZYTOVLQPSHDG-VXGBXAGGSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds5

About cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane

cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane (PubChem CID 15722604) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane
PubChem CID15722604
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namecis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)[C@@]1(C)C[C@@]1(CCCC)OC
InChIInChI=1S/C12H22O/c1-6-7-8-12(13-5)9-11(12,4)10(2)3/h2,6-9H2,1,3-5H3/t11-,12-/m1/s1
InChIKeyHEZYTOVLQPSHDG-VXGBXAGGSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane (CID 15722604) is cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane is C=C(C)[C@@]1(C)C[C@@]1(CCCC)OC.
What is the InChIKey of cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane?
The InChIKey is HEZYTOVLQPSHDG-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22O/c1-6-7-8-12(13-5)9-11(12,4)10(2)3/h2,6-9H2,1,3-5H3/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane?
cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-butyl-1-methoxy-2-methyl-2-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 15722604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).