1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

C19H34O2 — CID 67898633

IUPAC1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-4-13-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)14-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3-
InChIKeyQUCVBWOKRGSPTF-ARJAWSKDSA-N
MW294.48 g/mol
LogP4.84
Rot. Bonds7

About 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane

1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (PubChem CID 67898633) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
PubChem CID67898633
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
SMILESC/C=C\COCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-4-13-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)14-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3-
InChIKeyQUCVBWOKRGSPTF-ARJAWSKDSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane (CID 67898633) is 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is C/C=C\COCC1CCC(C2CCC(COC)CC2)CC1.
What is the InChIKey of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is QUCVBWOKRGSPTF-ARJAWSKDSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-4-13-21-15-17-7-11-19(12-8-17)18-9-5-16(6-10-18)14-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3-.
What are the key properties of 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane?
1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 294.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 67898633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).