1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane

C18H32O — CID 67762033

IUPAC1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\C1CCC(C2CCC(C(C)OC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h4-5,14-18H,6-13H2,1-3H3/b5-4-
InChIKeyRRLDILJYEQBBSB-PLNGDYQASA-N
MW264.45 g/mol
LogP5.21
Rot. Bonds4

About 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane

1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 67762033) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID67762033
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C\C1CCC(C2CCC(C(C)OC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h4-5,14-18H,6-13H2,1-3H3/b5-4-
InChIKeyRRLDILJYEQBBSB-PLNGDYQASA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.21
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-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane
CID 144859039
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1,2-difluoro-7-methoxy-3-[1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139861247
5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol
CID 142188174
1-methoxyethylcyclooctane
CID 58445596
1-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane (CID 67762033) is 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C\C1CCC(C2CCC(C(C)OC)CC2)CC1.
What is the InChIKey of 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is RRLDILJYEQBBSB-PLNGDYQASA-N. The full InChI is InChI=1S/C18H32O/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h4-5,14-18H,6-13H2,1-3H3/b5-4-.
What are the key properties of 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane?
1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 67762033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).