cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane

C15H26O — CID 11447402

IUPACcis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O/c1-6-10-16-15(7-2)11-13(5)8-9-14(15)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3/t13-,14+,15?/m1/s1
InChIKeyQOWFGIPWDLDOFD-GNXJLENFSA-N
MW222.37 g/mol
LogP4.21
Rot. Bonds5

About cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane

cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane (PubChem CID 11447402) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane.

Molecular Properties

Compound Namecis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane
PubChem CID11447402
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namecis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O/c1-6-10-16-15(7-2)11-13(5)8-9-14(15)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3/t13-,14+,15?/m1/s1
InChIKeyQOWFGIPWDLDOFD-GNXJLENFSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.21
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-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane?
The IUPAC name of cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane (CID 11447402) is cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane.
What is the SMILES notation for cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane?
The canonical SMILES for cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane is C=CCOC1(C=C)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane?
The InChIKey is QOWFGIPWDLDOFD-GNXJLENFSA-N. The full InChI is InChI=1S/C15H26O/c1-6-10-16-15(7-2)11-13(5)8-9-14(15)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3/t13-,14+,15?/m1/s1.
What are the key properties of cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane?
cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane has a molecular weight of 222.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane is sourced from PubChem (CID 11447402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).