1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]

C18H22 — CID 153378817

IUPAC1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]
SMILESC=CC1=C(CC)CC2(CC3=C(C=CCC=C3)C2)C1
InChIInChI=1S/C18H22/c1-3-14-10-18(11-15(14)4-2)12-16-8-6-5-7-9-17(16)13-18/h3,6-9H,1,4-5,10-13H2,2H3
InChIKeyCOHVICRBBLWDRF-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.27
Rot. Bonds2

About 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]

1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene] (PubChem CID 153378817) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene].

Molecular Properties

Compound Name1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]
PubChem CID153378817
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]
SMILESC=CC1=C(CC)CC2(CC3=C(C=CCC=C3)C2)C1
InChIInChI=1S/C18H22/c1-3-14-10-18(11-15(14)4-2)12-16-8-6-5-7-9-17(16)13-18/h3,6-9H,1,4-5,10-13H2,2H3
InChIKeyCOHVICRBBLWDRF-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
CID 143143751
ethane;2-prop-2-enylcyclopenta-1,3-diene
CID 142584278
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
CID 155709835
3-ethenyl-3-ethylcyclohexa-1,4-diene
CID 19023058
2-(3-ethylhex-5-en-3-yl)cyclopenta-1,3-diene
CID 137052048
cyclopenta-1,4-dien-1-yl-dimethyl-prop-2-enylsilane
CID 140820783
N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
CID 143345765
cyclopenta-1,4-dien-1-yl(diethyl)phosphane
CID 137294143
4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
CID 138668061
1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene
CID 143950149
3,3-diethyl-2,5-dihydroinden-1-amine
CID 174426109
ethane;2-propylcyclopenta-1,3-diene
CID 142052577

Frequently Asked Questions

What is the IUPAC name of 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]?
The IUPAC name of 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene] (CID 153378817) is 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene].
What is the SMILES notation for 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]?
The canonical SMILES for 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene] is C=CC1=C(CC)CC2(CC3=C(C=CCC=C3)C2)C1.
What is the InChIKey of 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]?
The InChIKey is COHVICRBBLWDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-14-10-18(11-15(14)4-2)12-16-8-6-5-7-9-17(16)13-18/h3,6-9H,1,4-5,10-13H2,2H3.
What are the key properties of 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]?
1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene] has a molecular weight of 238.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene] is sourced from PubChem (CID 153378817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).