[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol

C13H14O — CID 131154381

IUPAC[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol
SMILESOC[C@@]12C[C@@H]1c1ccccc1C21CC1
InChIInChI=1S/C13H14O/c14-8-13-7-11(13)9-3-1-2-4-10(9)12(13)5-6-12/h1-4,11,14H,5-8H2/t11-,13+/m1/s1
InChIKeyQOOOZSZILRVBPX-YPMHNXCESA-N
MW186.25 g/mol
LogP2.20
Rot. Bonds1

About [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol

[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol (PubChem CID 131154381) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol.

Molecular Properties

Compound Name[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol
PubChem CID131154381
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol
SMILESOC[C@@]12C[C@@H]1c1ccccc1C21CC1
InChIInChI=1S/C13H14O/c14-8-13-7-11(13)9-3-1-2-4-10(9)12(13)5-6-12/h1-4,11,14H,5-8H2/t11-,13+/m1/s1
InChIKeyQOOOZSZILRVBPX-YPMHNXCESA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol?
The IUPAC name of [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol (CID 131154381) is [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol.
What is the SMILES notation for [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol?
The canonical SMILES for [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol is OC[C@@]12C[C@@H]1c1ccccc1C21CC1.
What is the InChIKey of [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol?
The InChIKey is QOOOZSZILRVBPX-YPMHNXCESA-N. The full InChI is InChI=1S/C13H14O/c14-8-13-7-11(13)9-3-1-2-4-10(9)12(13)5-6-12/h1-4,11,14H,5-8H2/t11-,13+/m1/s1.
What are the key properties of [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol?
[(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aR,6aS)-spiro[1,1a-dihydrocyclopropa[a]indene-6,1'-cyclopropane]-6a-yl]methanol is sourced from PubChem (CID 131154381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).