cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane

C14H28O — CID 58462611

IUPACcis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane
SMILESCC(C)CCC[C@@H]1C[C@@H]1COCC(C)C
InChIInChI=1S/C14H28O/c1-11(2)6-5-7-13-8-14(13)10-15-9-12(3)4/h11-14H,5-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyCXXOJSWOVDJQRG-ZIAGYGMSSA-N
MW212.38 g/mol
LogP4.12
Rot. Bonds8

About cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane

cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane (PubChem CID 58462611) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane.

Molecular Properties

Compound Namecis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane
PubChem CID58462611
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Namecis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane
SMILESCC(C)CCC[C@@H]1C[C@@H]1COCC(C)C
InChIInChI=1S/C14H28O/c1-11(2)6-5-7-13-8-14(13)10-15-9-12(3)4/h11-14H,5-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyCXXOJSWOVDJQRG-ZIAGYGMSSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane?
The IUPAC name of cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane (CID 58462611) is cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane.
What is the SMILES notation for cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane?
The canonical SMILES for cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane is CC(C)CCC[C@@H]1C[C@@H]1COCC(C)C.
What is the InChIKey of cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane?
The InChIKey is CXXOJSWOVDJQRG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2)6-5-7-13-8-14(13)10-15-9-12(3)4/h11-14H,5-10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane?
cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane has a molecular weight of 212.38 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(4-methylpentyl)-2-(2-methylpropoxymethyl)cyclopropane is sourced from PubChem (CID 58462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).