4-[(4-propan-2-ylcyclohexylidene)methyl]oxane

C15H26O — CID 21025526

IUPAC4-[(4-propan-2-ylcyclohexylidene)methyl]oxane
SMILESCC(C)C1CCC(=CC2CCOCC2)CC1
InChIInChI=1S/C15H26O/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h11-12,14-15H,3-10H2,1-2H3/b13-11-
InChIKeyYVVAKYIRSWHWMP-QBFSEMIESA-N
MW222.37 g/mol
LogP4.19
Rot. Bonds2

About 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane

4-[(4-propan-2-ylcyclohexylidene)methyl]oxane (PubChem CID 21025526) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane.

Molecular Properties

Compound Name4-[(4-propan-2-ylcyclohexylidene)methyl]oxane
PubChem CID21025526
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-[(4-propan-2-ylcyclohexylidene)methyl]oxane
SMILESCC(C)C1CCC(=CC2CCOCC2)CC1
InChIInChI=1S/C15H26O/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h11-12,14-15H,3-10H2,1-2H3/b13-11-
InChIKeyYVVAKYIRSWHWMP-QBFSEMIESA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.19
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 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane?
The IUPAC name of 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane (CID 21025526) is 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane.
What is the SMILES notation for 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane?
The canonical SMILES for 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane is CC(C)C1CCC(=CC2CCOCC2)CC1.
What is the InChIKey of 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane?
The InChIKey is YVVAKYIRSWHWMP-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h11-12,14-15H,3-10H2,1-2H3/b13-11-.
What are the key properties of 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane?
4-[(4-propan-2-ylcyclohexylidene)methyl]oxane has a molecular weight of 222.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylcyclohexylidene)methyl]oxane is sourced from PubChem (CID 21025526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).