cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane

C13H26O — CID 144642711

IUPACcis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane
SMILESC=CCO[C@H]1CCC[C@@H](C)C1.CCC
InChIInChI=1S/C10H18O.C3H8/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-2/h3,9-10H,1,4-8H2,2H3;3H2,1-2H3/t9-,10+;/m1./s1
InChIKeyOKWYEWCDXWRCND-UXQCFNEQSA-N
MW198.35 g/mol
LogP4.18
Rot. Bonds3

About cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane

cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane (PubChem CID 144642711) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane
PubChem CID144642711
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Namecis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane
SMILESC=CCO[C@H]1CCC[C@@H](C)C1.CCC
InChIInChI=1S/C10H18O.C3H8/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-2/h3,9-10H,1,4-8H2,2H3;3H2,1-2H3/t9-,10+;/m1./s1
InChIKeyOKWYEWCDXWRCND-UXQCFNEQSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.18
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,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane?
The IUPAC name of cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane (CID 144642711) is cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane is C=CCO[C@H]1CCC[C@@H](C)C1.CCC.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane?
The InChIKey is OKWYEWCDXWRCND-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H18O.C3H8/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-2/h3,9-10H,1,4-8H2,2H3;3H2,1-2H3/t9-,10+;/m1./s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane?
cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane has a molecular weight of 198.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane is sourced from PubChem (CID 144642711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).