ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol

C18H32O — CID 142016467

IUPACethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
SMILESCC.CC1(C)CC(C)(C)c2cc(O)ccc21.CCC
InChIInChI=1S/C13H18O.C3H8.C2H6/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12;1-3-2;1-2/h5-7,14H,8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyMVNMUSPHYXJUCI-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.79
Rot. Bonds

About ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol

ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol (PubChem CID 142016467) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol.

Molecular Properties

Compound Nameethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
PubChem CID142016467
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Nameethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
SMILESCC.CC1(C)CC(C)(C)c2cc(O)ccc21.CCC
InChIInChI=1S/C13H18O.C3H8.C2H6/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12;1-3-2;1-2/h5-7,14H,8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyMVNMUSPHYXJUCI-UHFFFAOYSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol?
The IUPAC name of ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol (CID 142016467) is ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol.
What is the SMILES notation for ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol?
The canonical SMILES for ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol is CC.CC1(C)CC(C)(C)c2cc(O)ccc21.CCC.
What is the InChIKey of ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol?
The InChIKey is MVNMUSPHYXJUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C3H8.C2H6/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12;1-3-2;1-2/h5-7,14H,8H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol?
ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol has a molecular weight of 264.45 g/mol, XLogP of 5.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol is sourced from PubChem (CID 142016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).