2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol

C14H22O — CID 70864307

IUPAC2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol
SMILESCCCC1(C)CC2=CCC(C)C=C2C1O
InChIInChI=1S/C14H22O/c1-4-7-14(3)9-11-6-5-10(2)8-12(11)13(14)15/h6,8,10,13,15H,4-5,7,9H2,1-3H3
InChIKeyAMHKWFRHVCNMMV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds2

About 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol

2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol (PubChem CID 70864307) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol
PubChem CID70864307
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol
SMILESCCCC1(C)CC2=CCC(C)C=C2C1O
InChIInChI=1S/C14H22O/c1-4-7-14(3)9-11-6-5-10(2)8-12(11)13(14)15/h6,8,10,13,15H,4-5,7,9H2,1-3H3
InChIKeyAMHKWFRHVCNMMV-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol?
The IUPAC name of 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol (CID 70864307) is 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol.
What is the SMILES notation for 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol?
The canonical SMILES for 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol is CCCC1(C)CC2=CCC(C)C=C2C1O.
What is the InChIKey of 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol?
The InChIKey is AMHKWFRHVCNMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-7-14(3)9-11-6-5-10(2)8-12(11)13(14)15/h6,8,10,13,15H,4-5,7,9H2,1-3H3.
What are the key properties of 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol?
2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-propyl-1,3,5,6-tetrahydroinden-1-ol is sourced from PubChem (CID 70864307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).