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

C19H32 — CID 158220965

IUPAC1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
SMILESC/C=C/C1CCC(CC2CCC(C3CC3)CC2)CC1
InChIInChI=1S/C19H32/c1-2-3-15-4-6-16(7-5-15)14-17-8-10-18(11-9-17)19-12-13-19/h2-3,15-19H,4-14H2,1H3/b3-2+
InChIKeyZYHGNHRUOCVRKF-NSCUHMNNSA-N
MW260.46 g/mol
LogP5.98
Rot. Bonds4

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

1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane (PubChem CID 158220965) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane.

Molecular Properties

Compound Name1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
PubChem CID158220965
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
SMILESC/C=C/C1CCC(CC2CCC(C3CC3)CC2)CC1
InChIInChI=1S/C19H32/c1-2-3-15-4-6-16(7-5-15)14-17-8-10-18(11-9-17)19-12-13-19/h2-3,15-19H,4-14H2,1H3/b3-2+
InChIKeyZYHGNHRUOCVRKF-NSCUHMNNSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
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-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 67898606
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane?
The IUPAC name of 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane (CID 158220965) is 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane.
What is the SMILES notation for 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane?
The canonical SMILES for 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane is C/C=C/C1CCC(CC2CCC(C3CC3)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane?
The InChIKey is ZYHGNHRUOCVRKF-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H32/c1-2-3-15-4-6-16(7-5-15)14-17-8-10-18(11-9-17)19-12-13-19/h2-3,15-19H,4-14H2,1H3/b3-2+.
What are the key properties of 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane?
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane has a molecular weight of 260.46 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane is sourced from PubChem (CID 158220965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).