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

C17H30O — CID 18702628

IUPAC1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C17H30O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h3-4,14-17H,5-13H2,1-2H3/b4-3+
InChIKeyCHAWOEORTCPEBT-ONEGZZNKSA-N
MW250.43 g/mol
LogP4.82
Rot. Bonds4

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

1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 18702628) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID18702628
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C17H30O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h3-4,14-17H,5-13H2,1-2H3/b4-3+
InChIKeyCHAWOEORTCPEBT-ONEGZZNKSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.82
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 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 18702628) is 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(COC)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is CHAWOEORTCPEBT-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H30O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h3-4,14-17H,5-13H2,1-2H3/b4-3+.
What are the key properties of 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 250.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18702628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).