2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol

C14H20O — CID 129066388

IUPAC2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol
SMILESCCCCC1C=C2C=C(C)C=C(O)C2C1
InChIInChI=1S/C14H20O/c1-3-4-5-11-8-12-6-10(2)7-14(15)13(12)9-11/h6-8,11,13,15H,3-5,9H2,1-2H3
InChIKeySDNGYXLUQXFOSE-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.14
Rot. Bonds3

About 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol

2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol (PubChem CID 129066388) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol.

Molecular Properties

Compound Name2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol
PubChem CID129066388
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol
SMILESCCCCC1C=C2C=C(C)C=C(O)C2C1
InChIInChI=1S/C14H20O/c1-3-4-5-11-8-12-6-10(2)7-14(15)13(12)9-11/h6-8,11,13,15H,3-5,9H2,1-2H3
InChIKeySDNGYXLUQXFOSE-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol?
The IUPAC name of 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol (CID 129066388) is 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol.
What is the SMILES notation for 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol?
The canonical SMILES for 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol is CCCCC1C=C2C=C(C)C=C(O)C2C1.
What is the InChIKey of 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol?
The InChIKey is SDNGYXLUQXFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-5-11-8-12-6-10(2)7-14(15)13(12)9-11/h6-8,11,13,15H,3-5,9H2,1-2H3.
What are the key properties of 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol?
2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol has a molecular weight of 204.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-3,3a-dihydro-2H-inden-4-ol is sourced from PubChem (CID 129066388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).