(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol

C20H28O — CID 144550032

IUPAC(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol
SMILESC[C@H]1CC(C)(C)C2(C1)c1cc(O)ccc1CC2CC1CC1
InChIInChI=1S/C20H28O/c1-13-11-19(2,3)20(12-13)16(8-14-4-5-14)9-15-6-7-17(21)10-18(15)20/h6-7,10,13-14,16,21H,4-5,8-9,11-12H2,1-3H3/t13-,16?,20?/m0/s1
InChIKeyUTGPOOJVAHOYFZ-CZTOGXCSSA-N
MW284.44 g/mol
LogP5.06
Rot. Bonds2

About (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol

(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol (PubChem CID 144550032) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol.

Molecular Properties

Compound Name(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol
PubChem CID144550032
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol
SMILESC[C@H]1CC(C)(C)C2(C1)c1cc(O)ccc1CC2CC1CC1
InChIInChI=1S/C20H28O/c1-13-11-19(2,3)20(12-13)16(8-14-4-5-14)9-15-6-7-17(21)10-18(15)20/h6-7,10,13-14,16,21H,4-5,8-9,11-12H2,1-3H3/t13-,16?,20?/m0/s1
InChIKeyUTGPOOJVAHOYFZ-CZTOGXCSSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol?
The IUPAC name of (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol (CID 144550032) is (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol.
What is the SMILES notation for (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol?
The canonical SMILES for (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol is C[C@H]1CC(C)(C)C2(C1)c1cc(O)ccc1CC2CC1CC1.
What is the InChIKey of (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol?
The InChIKey is UTGPOOJVAHOYFZ-CZTOGXCSSA-N. The full InChI is InChI=1S/C20H28O/c1-13-11-19(2,3)20(12-13)16(8-14-4-5-14)9-15-6-7-17(21)10-18(15)20/h6-7,10,13-14,16,21H,4-5,8-9,11-12H2,1-3H3/t13-,16?,20?/m0/s1.
What are the key properties of (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol?
(4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol has a molecular weight of 284.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S)-2-(cyclopropylmethyl)-1',1',4'-trimethylspiro[1,2-dihydroindene-3,2'-cyclopentane]-5-ol is sourced from PubChem (CID 144550032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).