1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

C17H30O — CID 122676460

IUPAC1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCCC(C2CCC(OCC)CC2)C1
InChIInChI=1S/C17H30O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,6,14-17H,4-5,7-13H2,1-2H3/b6-3+
InChIKeyVJXQTGFHVBZDEI-ZZXKWVIFSA-N
MW250.43 g/mol
LogP4.96
Rot. Bonds4

About 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 122676460) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID122676460
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCCC(C2CCC(OCC)CC2)C1
InChIInChI=1S/C17H30O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,6,14-17H,4-5,7-13H2,1-2H3/b6-3+
InChIKeyVJXQTGFHVBZDEI-ZZXKWVIFSA-N
XLogP4.96
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 ≤ 54.96
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-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397
ethoxycyclooctane
CID 13427982
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
2-ethoxy-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58719019
azane;ethoxycyclooctane
CID 70271275
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
prop-1-enylcyclododecane
CID 139760926
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
CID 154516435
2-(4-ethoxycyclohexyl)-6-[4-[(E)-pent-3-enyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868631

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 122676460) is 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCCC(C2CCC(OCC)CC2)C1.
What is the InChIKey of 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is VJXQTGFHVBZDEI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H30O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,6,14-17H,4-5,7-13H2,1-2H3/b6-3+.
What are the key properties of 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 250.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 122676460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).