5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol

C19H32O3 — CID 163090693

IUPAC5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol
SMILESCC12CCCC(O)(C1)C1CC3(CCCCC3)C1(CO)C(O)C2
InChIInChI=1S/C19H32O3/c1-16-6-5-9-18(22,12-16)14-10-17(7-3-2-4-8-17)19(14,13-20)15(21)11-16/h14-15,20-22H,2-13H2,1H3
InChIKeyYNWDZTRSRQYJLR-UHFFFAOYSA-N
MW308.46 g/mol
LogP3.01
Rot. Bonds1

About 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol

5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol (PubChem CID 163090693) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol.

Molecular Properties

Compound Name5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol
PubChem CID163090693
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol
SMILESCC12CCCC(O)(C1)C1CC3(CCCCC3)C1(CO)C(O)C2
InChIInChI=1S/C19H32O3/c1-16-6-5-9-18(22,12-16)14-10-17(7-3-2-4-8-17)19(14,13-20)15(21)11-16/h14-15,20-22H,2-13H2,1H3
InChIKeyYNWDZTRSRQYJLR-UHFFFAOYSA-N
XLogP3.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol with MolForge

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Related Compounds

8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
CID 162838967
(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
CID 162829619
(1R,2R,4R,6S,8R,9S,14R,16R,17S,19S)-19-methyl-6-pentyl-10-azahexacyclo[17.3.1.02,16.04,8.04,16.09,14]tricosane-1,17-diol
CID 162828728
(4R,9R,10R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 5318783
8-methyltricyclo[6.3.1.02,5]dodecan-1-ol
CID 162830948
1,5-bis(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 78072368
(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol
CID 144526385
(1-methylcyclododecyl)methanol
CID 70130772
(7R)-2,2,6-trimethylbicyclo[4.2.0]octan-7-ol
CID 89331828
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
(1R,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-diol
CID 11219065
(1S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 10955280

Frequently Asked Questions

What is the IUPAC name of 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol?
The IUPAC name of 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol (CID 163090693) is 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol.
What is the SMILES notation for 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol?
The canonical SMILES for 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol is CC12CCCC(O)(C1)C1CC3(CCCCC3)C1(CO)C(O)C2.
What is the InChIKey of 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol?
The InChIKey is YNWDZTRSRQYJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-16-6-5-9-18(22,12-16)14-10-17(7-3-2-4-8-17)19(14,13-20)15(21)11-16/h14-15,20-22H,2-13H2,1H3.
What are the key properties of 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol?
5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol has a molecular weight of 308.46 g/mol, XLogP of 3.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(hydroxymethyl)-8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1',6'-diol is sourced from PubChem (CID 163090693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).