(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol

C12H22O — CID 22164638

IUPAC(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol
SMILESCC1(C)CC(CO)C2CCCCC21
InChIInChI=1S/C12H22O/c1-12(2)7-9(8-13)10-5-3-4-6-11(10)12/h9-11,13H,3-8H2,1-2H3
InChIKeyJRXPMSWIZIYRME-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds1

About (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol

(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol (PubChem CID 22164638) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol
PubChem CID22164638
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol
SMILESCC1(C)CC(CO)C2CCCCC21
InChIInChI=1S/C12H22O/c1-12(2)7-9(8-13)10-5-3-4-6-11(10)12/h9-11,13H,3-8H2,1-2H3
InChIKeyJRXPMSWIZIYRME-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol?
The IUPAC name of (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol (CID 22164638) is (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol?
The canonical SMILES for (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol is CC1(C)CC(CO)C2CCCCC21.
What is the InChIKey of (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol?
The InChIKey is JRXPMSWIZIYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(2)7-9(8-13)10-5-3-4-6-11(10)12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol?
(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol is sourced from PubChem (CID 22164638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).