1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol

C17H30O2 — CID 142000430

IUPAC1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol
SMILESCC1OC(C)C2C(O)C3CCC(C)(C)CCC3CC12
InChIInChI=1S/C17H30O2/c1-10-14-9-12-5-7-17(3,4)8-6-13(12)16(18)15(14)11(2)19-10/h10-16,18H,5-9H2,1-4H3
InChIKeyDNSMJJJQDIFZDD-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.62
Rot. Bonds

About 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol

1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol (PubChem CID 142000430) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol.

Molecular Properties

Compound Name1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol
PubChem CID142000430
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol
SMILESCC1OC(C)C2C(O)C3CCC(C)(C)CCC3CC12
InChIInChI=1S/C17H30O2/c1-10-14-9-12-5-7-17(3,4)8-6-13(12)16(18)15(14)11(2)19-10/h10-16,18H,5-9H2,1-4H3
InChIKeyDNSMJJJQDIFZDD-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol?
The IUPAC name of 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol (CID 142000430) is 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol.
What is the SMILES notation for 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol?
The canonical SMILES for 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol is CC1OC(C)C2C(O)C3CCC(C)(C)CCC3CC12.
What is the InChIKey of 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol?
The InChIKey is DNSMJJJQDIFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-10-14-9-12-5-7-17(3,4)8-6-13(12)16(18)15(14)11(2)19-10/h10-16,18H,5-9H2,1-4H3.
What are the key properties of 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol?
1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol has a molecular weight of 266.42 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,7-tetramethyl-1,3,3a,4,4a,5,6,8,9,9a,10,10a-dodecahydrocyclohepta[f][2]benzofuran-4-ol is sourced from PubChem (CID 142000430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).