2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol

C14H26O2 — CID 170527264

IUPAC2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
SMILESCC1(C)CCCC2CC(C)(C)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-13(2)7-5-6-9-8-14(3,4)12(16)10(9)11(13)15/h9-12,15-16H,5-8H2,1-4H3
InChIKeyNMFLFODRKQNLSF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.58
Rot. Bonds

About 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol

2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol (PubChem CID 170527264) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
PubChem CID170527264
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
SMILESCC1(C)CCCC2CC(C)(C)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-13(2)7-5-6-9-8-14(3,4)12(16)10(9)11(13)15/h9-12,15-16H,5-8H2,1-4H3
InChIKeyNMFLFODRKQNLSF-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;iridium;2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
CID 170527806
iridium;4-methyl-2-phenylquinoline;2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
CID 170527937
2,2-dimethylcyclohexan-1-ol
CID 557637
iridium;2-phenylpyridine;2,2,9,9-tetramethyl-1,3,4,5,5a,6,7,8,10,10a-decahydroheptalene-1,10-diol
CID 170527408
6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79834390
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
2,2,7,7-tetramethylcyclooctan-1-ol
CID 130126588
6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol
CID 140608938
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium;2,2,9,9-tetramethyl-1,3,4,5,5a,6,7,8,10,10a-decahydroheptalene-1,10-diol
CID 170527358
6-imidazol-1-yl-2,2-dimethylcyclohexan-1-ol
CID 79847286
3,3-dimethylcyclobutane-1,2-diol
CID 12791421

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol?
The IUPAC name of 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol (CID 170527264) is 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol.
What is the SMILES notation for 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol?
The canonical SMILES for 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol is CC1(C)CCCC2CC(C)(C)C(O)C2C1O.
What is the InChIKey of 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol?
The InChIKey is NMFLFODRKQNLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)7-5-6-9-8-14(3,4)12(16)10(9)11(13)15/h9-12,15-16H,5-8H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol?
2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol has a molecular weight of 226.36 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol is sourced from PubChem (CID 170527264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).