(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

C17H24O2 — CID 175224413

IUPAC(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)C[C@@H]21
InChIInChI=1S/C17H24O2/c1-10-5-6-13-12(7-10)16-14(18)8-11(2)9-15(16)19-17(13,3)4/h8-10,12-13,18H,5-7H2,1-4H3/t10?,12-,13-/m1/s1
InChIKeyNJEVKSYKELTXNY-SKVSWLLESA-N
MW260.38 g/mol
LogP4.39
Rot. Bonds

About (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (PubChem CID 175224413) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
PubChem CID175224413
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)C[C@@H]21
InChIInChI=1S/C17H24O2/c1-10-5-6-13-12(7-10)16-14(18)8-11(2)9-15(16)19-17(13,3)4/h8-10,12-13,18H,5-7H2,1-4H3/t10?,12-,13-/m1/s1
InChIKeyNJEVKSYKELTXNY-SKVSWLLESA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol with MolForge

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Related Compounds

(6aS,9S,10aS)-6,6,9-trimethyl-3-[(E)-2-phenylethenyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CID 10089121
(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-3-carbaldehyde
CID 46900275
(6aR,9R,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-2-carboxylic acid
CID 110144355
(6aS,9S,10aS)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 90678799
(6aR,9R,10aR)-6,6-dimethyl-3-(2-methylnonan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 156558015
(6aS,10aR)-9-amino-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CID 70590818
2-[(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]acetic acid
CID 155566626
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CID 176911728
[(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-phenylmethanone
CID 66552918
[(6aR,9R,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methylhexan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-yl] nitrate
CID 118620338
[1-hydroxy-6,6-dimethyl-3-(2-methylhexan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-yl] nitrate
CID 118620339
[1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-yl] nitrate
CID 130237738

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?
The IUPAC name of (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (CID 175224413) is (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?
The canonical SMILES for (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol is Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)C[C@@H]21.
What is the InChIKey of (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?
The InChIKey is NJEVKSYKELTXNY-SKVSWLLESA-N. The full InChI is InChI=1S/C17H24O2/c1-10-5-6-13-12(7-10)16-14(18)8-11(2)9-15(16)19-17(13,3)4/h8-10,12-13,18H,5-7H2,1-4H3/t10?,12-,13-/m1/s1.
What are the key properties of (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?
(6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol has a molecular weight of 260.38 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-3,6,6,9-tetramethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 175224413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).