(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol

C20H32O2 — CID 15381690

IUPAC(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
SMILESCC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)[C@H]1OC[C@H](O)[C@]1(C)CC3
InChIInChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1
InChIKeyNNCAOPKALYJMLU-OIGVQNGMSA-N
MW304.47 g/mol
LogP4.47
Rot. Bonds

About (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol

(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol (PubChem CID 15381690) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol.

Molecular Properties

Compound Name(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
PubChem CID15381690
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
SMILESCC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)[C@H]1OC[C@H](O)[C@]1(C)CC3
InChIInChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1
InChIKeyNNCAOPKALYJMLU-OIGVQNGMSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol?
The IUPAC name of (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol (CID 15381690) is (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol.
What is the SMILES notation for (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol?
The canonical SMILES for (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol is CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)[C@H]1OC[C@H](O)[C@]1(C)CC3.
What is the InChIKey of (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol?
The InChIKey is NNCAOPKALYJMLU-OIGVQNGMSA-N. The full InChI is InChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1.
What are the key properties of (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol?
(1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol has a molecular weight of 304.47 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,5aS,9aS,11aS)-6,6,9a,11a-tetramethyl-2,3a,4,5,5a,7,8,9,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol is sourced from PubChem (CID 15381690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).