1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane

C19H34O — CID 19899833

IUPAC1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC/C=C/C1CCC(CCC2CCC(COC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)15-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3+
InChIKeyJUFNXLYEEFHRSC-ONEGZZNKSA-N
MW278.48 g/mol
LogP5.60
Rot. Bonds6

About 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane

1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 19899833) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
PubChem CID19899833
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC/C=C/C1CCC(CCC2CCC(COC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)15-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3+
InChIKeyJUFNXLYEEFHRSC-ONEGZZNKSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-methoxy-2,3-dimethyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane
CID 122549546
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 67898606

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane (CID 19899833) is 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane is C/C=C/C1CCC(CCC2CCC(COC)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is JUFNXLYEEFHRSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)15-20-2/h3-4,16-19H,5-15H2,1-2H3/b4-3+.
What are the key properties of 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 278.48 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19899833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).