(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane

C19H30 — CID 143238753

IUPAC(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane
SMILESC(/C=C1\CCCC2(CCCCC2)C1)=C1CCCCC1
InChIInChI=1S/C19H30/c1-3-8-17(9-4-1)11-12-18-10-7-15-19(16-18)13-5-2-6-14-19/h11-12H,1-10,13-16H2/b18-12+
InChIKeyBLMHLYULQWRVNN-LDADJPATSA-N
MW258.45 g/mol
LogP6.33
Rot. Bonds1

About (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane

(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane (PubChem CID 143238753) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane.

Molecular Properties

Compound Name(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane
PubChem CID143238753
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane
SMILESC(/C=C1\CCCC2(CCCCC2)C1)=C1CCCCC1
InChIInChI=1S/C19H30/c1-3-8-17(9-4-1)11-12-18-10-7-15-19(16-18)13-5-2-6-14-19/h11-12H,1-10,13-16H2/b18-12+
InChIKeyBLMHLYULQWRVNN-LDADJPATSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane with MolForge

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Related Compounds

spiro[2.7]decan-9-one
CID 130028945
spiro[4.6]undecan-10-one
CID 15638085
trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
CID 143238762
1-spiro[3.5]nonan-2-ylidenepropan-2-one
CID 130030903
(3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol
CID 143238769
spiro[2.7]decane
CID 12657449
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
spiro[4.4]nonane
CID 90780660
(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol
CID 143238724
cis-(1R,3S)-5-[(2E)-2-[3-(6-ethyl-6-hydroxyoct-4-ynoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
CID 11518220
cis-(1S,3R)-5-[(2E)-2-[3-[(E)-7-ethyl-7-hydroxynon-2-enoxy]spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
CID 11719840
spiro[2.6]nonane;hydrochloride
CID 141316852

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane?
The IUPAC name of (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane (CID 143238753) is (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane.
What is the SMILES notation for (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane?
The canonical SMILES for (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane is C(/C=C1\CCCC2(CCCCC2)C1)=C1CCCCC1.
What is the InChIKey of (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane?
The InChIKey is BLMHLYULQWRVNN-LDADJPATSA-N. The full InChI is InChI=1S/C19H30/c1-3-8-17(9-4-1)11-12-18-10-7-15-19(16-18)13-5-2-6-14-19/h11-12H,1-10,13-16H2/b18-12+.
What are the key properties of (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane?
(4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane has a molecular weight of 258.45 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2-cyclohexylideneethylidene)spiro[5.5]undecane is sourced from PubChem (CID 143238753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).