1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane

C16H28O2 — CID 10332470

IUPAC1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane
SMILESC=CCOC(C)(C(=C)OCC)C1CCC(C)CC1
InChIInChI=1S/C16H28O2/c1-6-12-18-16(5,14(4)17-7-2)15-10-8-13(3)9-11-15/h6,13,15H,1,4,7-12H2,2-3,5H3
InChIKeyDZYQKJPLPOKHSL-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.32
Rot. Bonds7

About 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane

1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane (PubChem CID 10332470) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane
PubChem CID10332470
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane
SMILESC=CCOC(C)(C(=C)OCC)C1CCC(C)CC1
InChIInChI=1S/C16H28O2/c1-6-12-18-16(5,14(4)17-7-2)15-10-8-13(3)9-11-15/h6,13,15H,1,4,7-12H2,2-3,5H3
InChIKeyDZYQKJPLPOKHSL-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.32
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

(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 44571138
(1s,2s)-1-Methyl-4-(propan-2-yl)-1,2-bis(prop-2-en-1-yloxy)cyclohexane
CID 134158470
1-(1-Ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074050
1-Ethenyl-1-(2-methoxyprop-2-enoxy)cyclohexane
CID 13618025
3-Prop-2-enoxypenta-1,4-dien-3-ylcyclohexane
CID 15361424
2-Ethenyl-5-(4-pentylcyclohexyl)oxane
CID 58620417
2-Ethenyl-5-(4-propylcyclohexyl)oxane
CID 59294813
1-[[(Z)-pent-1-enoxy]methyl]-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 67898667
1-(Pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 67898669
1-[[(Z)-but-1-enoxy]methyl]-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 67898910
1-(But-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 67898913
(2S)-2-ethenyl-3-(4-pentylcyclohexyl)oxane
CID 68431023

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane (CID 10332470) is 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane is C=CCOC(C)(C(=C)OCC)C1CCC(C)CC1.
What is the InChIKey of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane?
The InChIKey is DZYQKJPLPOKHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-6-12-18-16(5,14(4)17-7-2)15-10-8-13(3)9-11-15/h6,13,15H,1,4,7-12H2,2-3,5H3.
What are the key properties of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane?
1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane has a molecular weight of 252.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 10332470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).