(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol

C17H28O — CID 162829619

IUPAC(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
SMILESC[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@@H]1CC2
InChIInChI=1S/C17H28O/c1-15-6-4-9-17(18,12-15)14-11-16(7-2-3-8-16)13(14)5-10-15/h13-14,18H,2-12H2,1H3/t13-,14-,15+,17-/m1/s1
InChIKeyVXIUIUYZGNCHKA-PNBKFKSVSA-N
MW248.41 g/mol
LogP4.29
Rot. Bonds

About (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol

(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol (PubChem CID 162829619) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol.

Molecular Properties

Compound Name(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
PubChem CID162829619
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
SMILESC[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@@H]1CC2
InChIInChI=1S/C17H28O/c1-15-6-4-9-17(18,12-15)14-11-16(7-2-3-8-16)13(14)5-10-15/h13-14,18H,2-12H2,1H3/t13-,14-,15+,17-/m1/s1
InChIKeyVXIUIUYZGNCHKA-PNBKFKSVSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol with MolForge

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Related Compounds

8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
CID 162838967
8-methyltricyclo[6.3.1.02,5]dodecan-1-ol
CID 162830948
3,3,7-trimethyltricyclo[5.3.2.04,11]dodecan-11-ol
CID 14263134
2-cyclobutylspiro[2.4]heptane
CID 148790584
7-methyltricyclo[5.1.1.01,5]nonane
CID 123707338
5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol
CID 163090693
(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol
CID 146386340
7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
CID 59331059
2-[[(1R,2S,5R,8S)-4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl]oxy]phenol
CID 101157212
tricyclo[3.3.1.01,4]nonane
CID 90787588
(1R)-1-methylbicyclo[4.3.2]undecane
CID 177097651
2-spiro[2.5]octan-2-yl-4-azaspiro[2.5]octan-7-ol
CID 167313694

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol?
The IUPAC name of (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol (CID 162829619) is (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol.
What is the SMILES notation for (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol?
The canonical SMILES for (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol is C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@@H]1CC2.
What is the InChIKey of (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol?
The InChIKey is VXIUIUYZGNCHKA-PNBKFKSVSA-N. The full InChI is InChI=1S/C17H28O/c1-15-6-4-9-17(18,12-15)14-11-16(7-2-3-8-16)13(14)5-10-15/h13-14,18H,2-12H2,1H3/t13-,14-,15+,17-/m1/s1.
What are the key properties of (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol?
(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol has a molecular weight of 248.41 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol is sourced from PubChem (CID 162829619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).