3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol

C16H28O — CID 67377373

IUPAC3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol
SMILESCC1CCC2CCC3(CC2C1(C)C)C(C)C3O
InChIInChI=1S/C16H28O/c1-10-5-6-12-7-8-16(11(2)14(16)17)9-13(12)15(10,3)4/h10-14,17H,5-9H2,1-4H3
InChIKeyNMNAETCRVGBAPS-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds

About 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol

3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol (PubChem CID 67377373) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol.

Molecular Properties

Compound Name3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol
PubChem CID67377373
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol
SMILESCC1CCC2CCC3(CC2C1(C)C)C(C)C3O
InChIInChI=1S/C16H28O/c1-10-5-6-12-7-8-16(11(2)14(16)17)9-13(12)15(10,3)4/h10-14,17H,5-9H2,1-4H3
InChIKeyNMNAETCRVGBAPS-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol?
The IUPAC name of 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol (CID 67377373) is 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol.
What is the SMILES notation for 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol?
The canonical SMILES for 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol is CC1CCC2CCC3(CC2C1(C)C)C(C)C3O.
What is the InChIKey of 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol?
The InChIKey is NMNAETCRVGBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-10-5-6-12-7-8-16(11(2)14(16)17)9-13(12)15(10,3)4/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol?
3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol has a molecular weight of 236.40 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol is sourced from PubChem (CID 67377373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).