3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]

C18H20 — CID 143984015

IUPAC3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
SMILESC=CC1=C(/C=C\C)C2(CCCC2)c2ccccc21
InChIInChI=1S/C18H20/c1-3-9-16-14(4-2)15-10-5-6-11-17(15)18(16)12-7-8-13-18/h3-6,9-11H,2,7-8,12-13H2,1H3/b9-3-
InChIKeyVWWPMUAVWHSEPJ-OQFOIZHKSA-N
MW236.36 g/mol
LogP5.03
Rot. Bonds2

About 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]

3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene] (PubChem CID 143984015) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene].

Molecular Properties

Compound Name3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
PubChem CID143984015
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
SMILESC=CC1=C(/C=C\C)C2(CCCC2)c2ccccc21
InChIInChI=1S/C18H20/c1-3-9-16-14(4-2)15-10-5-6-11-17(15)18(16)12-7-8-13-18/h3-6,9-11H,2,7-8,12-13H2,1H3/b9-3-
InChIKeyVWWPMUAVWHSEPJ-OQFOIZHKSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]?
The IUPAC name of 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene] (CID 143984015) is 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene].
What is the SMILES notation for 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]?
The canonical SMILES for 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene] is C=CC1=C(/C=C\C)C2(CCCC2)c2ccccc21.
What is the InChIKey of 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]?
The InChIKey is VWWPMUAVWHSEPJ-OQFOIZHKSA-N. The full InChI is InChI=1S/C18H20/c1-3-9-16-14(4-2)15-10-5-6-11-17(15)18(16)12-7-8-13-18/h3-6,9-11H,2,7-8,12-13H2,1H3/b9-3-.
What are the key properties of 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]?
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene] has a molecular weight of 236.36 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene] is sourced from PubChem (CID 143984015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).