(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]

C20H26 — CID 143093039

IUPAC(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]
SMILESCC/C=C\C1=C(C)C2(CCC[C@@H]2CC)c2ccccc21
InChIInChI=1S/C20H26/c1-4-6-11-17-15(3)20(14-9-10-16(20)5-2)19-13-8-7-12-18(17)19/h6-8,11-13,16H,4-5,9-10,14H2,1-3H3/b11-6-/t16-,20?/m0/s1
InChIKeyUAAUPKMGOANOAN-CXZLVDHESA-N
MW266.43 g/mol
LogP5.89
Rot. Bonds3

About (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]

(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene] (PubChem CID 143093039) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene].

Molecular Properties

Compound Name(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]
PubChem CID143093039
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]
SMILESCC/C=C\C1=C(C)C2(CCC[C@@H]2CC)c2ccccc21
InChIInChI=1S/C20H26/c1-4-6-11-17-15(3)20(14-9-10-16(20)5-2)19-13-8-7-12-18(17)19/h6-8,11-13,16H,4-5,9-10,14H2,1-3H3/b11-6-/t16-,20?/m0/s1
InChIKeyUAAUPKMGOANOAN-CXZLVDHESA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]?
The IUPAC name of (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene] (CID 143093039) is (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene].
What is the SMILES notation for (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]?
The canonical SMILES for (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene] is CC/C=C\C1=C(C)C2(CCC[C@@H]2CC)c2ccccc21.
What is the InChIKey of (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]?
The InChIKey is UAAUPKMGOANOAN-CXZLVDHESA-N. The full InChI is InChI=1S/C20H26/c1-4-6-11-17-15(3)20(14-9-10-16(20)5-2)19-13-8-7-12-18(17)19/h6-8,11-13,16H,4-5,9-10,14H2,1-3H3/b11-6-/t16-,20?/m0/s1.
What are the key properties of (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene]?
(2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene] has a molecular weight of 266.43 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3'-[(Z)-but-1-enyl]-2-ethyl-2'-methylspiro[cyclopentane-1,1'-indene] is sourced from PubChem (CID 143093039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).