cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

C16H26O2 — CID 102073162

IUPACcis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCO[C@@]1(C(=C)OCC)CCCC[C@H]1C(=C)C
InChIInChI=1S/C16H26O2/c1-6-12-18-16(14(5)17-7-2)11-9-8-10-15(16)13(3)4/h6,15H,1,3,5,7-12H2,2,4H3/t15-,16+/m0/s1
InChIKeyMEQYNOHAZQSDJF-JKSUJKDBSA-N
MW250.38 g/mol
LogP4.24
Rot. Bonds7

About cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (PubChem CID 102073162) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
PubChem CID102073162
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namecis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCO[C@@]1(C(=C)OCC)CCCC[C@H]1C(=C)C
InChIInChI=1S/C16H26O2/c1-6-12-18-16(14(5)17-7-2)11-9-8-10-15(16)13(3)4/h6,15H,1,3,5,7-12H2,2,4H3/t15-,16+/m0/s1
InChIKeyMEQYNOHAZQSDJF-JKSUJKDBSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074050
1-[(Z)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074151
1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074718
1-Prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 135084334
2-Methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896225
1-[1-(Allyloxy)-2-ethoxy-1-methyl-2-propenyl]-1,4-dimethylcyclohexane
CID 10084296
1-(3-Ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane
CID 10332470
2-Ethenyl-4-methyl-1-oxaspiro[2.5]octane
CID 13450278
cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 102073160
cis-(1R,2R)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 102073161
(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 102073164
(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 102073165

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (CID 102073162) is cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is C=CCO[C@@]1(C(=C)OCC)CCCC[C@H]1C(=C)C.
What is the InChIKey of cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The InChIKey is MEQYNOHAZQSDJF-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-12-18-16(14(5)17-7-2)11-9-8-10-15(16)13(3)4/h6,15H,1,3,5,7-12H2,2,4H3/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane has a molecular weight of 250.38 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 102073162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).