9-hexylidene-1-oxaspiro[5.5]undecane

C16H28O — CID 118899973

IUPAC9-hexylidene-1-oxaspiro[5.5]undecane
SMILESCCCCCC=C1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H28O/c1-2-3-4-5-8-15-9-12-16(13-10-15)11-6-7-14-17-16/h8H,2-7,9-14H2,1H3/b15-8-
InChIKeyCBZHHFDPBGGECE-NVNXTCNLSA-N
MW236.40 g/mol
LogP5.01
Rot. Bonds4

About 9-hexylidene-1-oxaspiro[5.5]undecane

9-hexylidene-1-oxaspiro[5.5]undecane (PubChem CID 118899973) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 9-hexylidene-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-hexylidene-1-oxaspiro[5.5]undecane
PubChem CID118899973
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name9-hexylidene-1-oxaspiro[5.5]undecane
SMILESCCCCCC=C1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H28O/c1-2-3-4-5-8-15-9-12-16(13-10-15)11-6-7-14-17-16/h8H,2-7,9-14H2,1H3/b15-8-
InChIKeyCBZHHFDPBGGECE-NVNXTCNLSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hexylidene-1-oxaspiro[5.5]undecane?
The IUPAC name of 9-hexylidene-1-oxaspiro[5.5]undecane (CID 118899973) is 9-hexylidene-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 9-hexylidene-1-oxaspiro[5.5]undecane?
The canonical SMILES for 9-hexylidene-1-oxaspiro[5.5]undecane is CCCCCC=C1CCC2(CCCCO2)CC1.
What is the InChIKey of 9-hexylidene-1-oxaspiro[5.5]undecane?
The InChIKey is CBZHHFDPBGGECE-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-8-15-9-12-16(13-10-15)11-6-7-14-17-16/h8H,2-7,9-14H2,1H3/b15-8-.
What are the key properties of 9-hexylidene-1-oxaspiro[5.5]undecane?
9-hexylidene-1-oxaspiro[5.5]undecane has a molecular weight of 236.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexylidene-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 118899973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).