1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol

C12H22O — CID 25082929

IUPAC1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol
SMILESCC1CC(C)(C)C2CCC(O)CC12
InChIInChI=1S/C12H22O/c1-8-7-12(2,3)11-5-4-9(13)6-10(8)11/h8-11,13H,4-7H2,1-3H3
InChIKeyKROBFAVVQSFTEU-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds

About 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol

1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol (PubChem CID 25082929) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol.

Molecular Properties

Compound Name1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol
PubChem CID25082929
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol
SMILESCC1CC(C)(C)C2CCC(O)CC12
InChIInChI=1S/C12H22O/c1-8-7-12(2,3)11-5-4-9(13)6-10(8)11/h8-11,13H,4-7H2,1-3H3
InChIKeyKROBFAVVQSFTEU-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol?
The IUPAC name of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol (CID 25082929) is 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol.
What is the SMILES notation for 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol?
The canonical SMILES for 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol is CC1CC(C)(C)C2CCC(O)CC12.
What is the InChIKey of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol?
The InChIKey is KROBFAVVQSFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8-7-12(2,3)11-5-4-9(13)6-10(8)11/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol?
1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol is sourced from PubChem (CID 25082929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).