(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol

C19H28O — CID 104889645

IUPAC(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCCC[C@H]3O
InChIInChI=1S/C19H28O/c1-18(2)9-10-19(3,4)16-12-14-13(11-15(16)18)7-5-6-8-17(14)20/h11-12,17,20H,5-10H2,1-4H3/t17-/m1/s1
InChIKeyXSESKUHHFKUQQJ-QGZVFWFLSA-N
MW272.43 g/mol
LogP4.80
Rot. Bonds

About (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol

(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol (PubChem CID 104889645) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol.

Molecular Properties

Compound Name(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
PubChem CID104889645
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCCC[C@H]3O
InChIInChI=1S/C19H28O/c1-18(2)9-10-19(3,4)16-12-14-13(11-15(16)18)7-5-6-8-17(14)20/h11-12,17,20H,5-10H2,1-4H3/t17-/m1/s1
InChIKeyXSESKUHHFKUQQJ-QGZVFWFLSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol with MolForge

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Related Compounds

(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
2-(5,5,8,8-tetramethyl-1,2,3,4,6,7-hexahydroanthracen-1-yl)acetaldehyde
CID 19077120
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
CID 115483220
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
CID 62736373
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
1-(5-hydroxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)propan-1-one
CID 90992189
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448

Frequently Asked Questions

What is the IUPAC name of (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol?
The IUPAC name of (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol (CID 104889645) is (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol.
What is the SMILES notation for (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol?
The canonical SMILES for (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol is CC1(C)CCC(C)(C)c2cc3c(cc21)CCCC[C@H]3O.
What is the InChIKey of (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol?
The InChIKey is XSESKUHHFKUQQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28O/c1-18(2)9-10-19(3,4)16-12-14-13(11-15(16)18)7-5-6-8-17(14)20/h11-12,17,20H,5-10H2,1-4H3/t17-/m1/s1.
What are the key properties of (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol?
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol has a molecular weight of 272.43 g/mol, XLogP of 4.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol is sourced from PubChem (CID 104889645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).