(3E)-3-propylidenespiro[5.5]undec-4-ene

C14H22 — CID 20622624

IUPAC(3E)-3-propylidenespiro[5.5]undec-4-ene
SMILESCC/C=C1/C=CC2(CCCCC2)CC1
InChIInChI=1S/C14H22/c1-2-6-13-7-11-14(12-8-13)9-4-3-5-10-14/h6-7,11H,2-5,8-10,12H2,1H3/b13-6-
InChIKeyUWJAIYIPLQQNSL-MLPAPPSSSA-N
MW190.33 g/mol
LogP4.62
Rot. Bonds1

About (3E)-3-propylidenespiro[5.5]undec-4-ene

(3E)-3-propylidenespiro[5.5]undec-4-ene (PubChem CID 20622624) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3E)-3-propylidenespiro[5.5]undec-4-ene.

Molecular Properties

Compound Name(3E)-3-propylidenespiro[5.5]undec-4-ene
PubChem CID20622624
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3E)-3-propylidenespiro[5.5]undec-4-ene
SMILESCC/C=C1/C=CC2(CCCCC2)CC1
InChIInChI=1S/C14H22/c1-2-6-13-7-11-14(12-8-13)9-4-3-5-10-14/h6-7,11H,2-5,8-10,12H2,1H3/b13-6-
InChIKeyUWJAIYIPLQQNSL-MLPAPPSSSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylidenespiro[5.5]undec-4-ene
CID 13205232
(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
CID 143423158
spiro[4.5]dec-3-en-2-one;hydrochloride
CID 20548247
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
3-butylidenecyclohexene
CID 54334793
(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene
CID 101038175
2-(5-methylthiophen-2-yl)-2-propylazepane
CID 79117017
ethyl (2E)-2-(4,4-dimethylcyclohex-2-en-1-ylidene)acetate
CID 23000922
2-phenyl-2-propylazepane
CID 79117631
6-(methoxymethylidene)-3,3-dimethylcyclohexene
CID 77399967
1-ethyl-2-azaspiro[4.11]hexadecane
CID 55191718

Frequently Asked Questions

What is the IUPAC name of (3E)-3-propylidenespiro[5.5]undec-4-ene?
The IUPAC name of (3E)-3-propylidenespiro[5.5]undec-4-ene (CID 20622624) is (3E)-3-propylidenespiro[5.5]undec-4-ene.
What is the SMILES notation for (3E)-3-propylidenespiro[5.5]undec-4-ene?
The canonical SMILES for (3E)-3-propylidenespiro[5.5]undec-4-ene is CC/C=C1/C=CC2(CCCCC2)CC1.
What is the InChIKey of (3E)-3-propylidenespiro[5.5]undec-4-ene?
The InChIKey is UWJAIYIPLQQNSL-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H22/c1-2-6-13-7-11-14(12-8-13)9-4-3-5-10-14/h6-7,11H,2-5,8-10,12H2,1H3/b13-6-.
What are the key properties of (3E)-3-propylidenespiro[5.5]undec-4-ene?
(3E)-3-propylidenespiro[5.5]undec-4-ene has a molecular weight of 190.33 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-propylidenespiro[5.5]undec-4-ene is sourced from PubChem (CID 20622624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).