1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol

C14H24O — CID 14817841

IUPAC1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol
SMILESCC1C(C)(C)C2=C(C(O)CCC2)C1(C)C
InChIInChI=1S/C14H24O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9,11,15H,6-8H2,1-5H3
InChIKeyTYCUOMHJQBSOBZ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds

About 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol

1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol (PubChem CID 14817841) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol
PubChem CID14817841
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol
SMILESCC1C(C)(C)C2=C(C(O)CCC2)C1(C)C
InChIInChI=1S/C14H24O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9,11,15H,6-8H2,1-5H3
InChIKeyTYCUOMHJQBSOBZ-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The IUPAC name of 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol (CID 14817841) is 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The canonical SMILES for 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol is CC1C(C)(C)C2=C(C(O)CCC2)C1(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The InChIKey is TYCUOMHJQBSOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9,11,15H,6-8H2,1-5H3.
What are the key properties of 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-ol is sourced from PubChem (CID 14817841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).