ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol

C18H38O — CID 142883915

IUPACethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol
SMILESCC.CC(O)CC1C(C)CCC(C)(C(C)C)CC1C
InChIInChI=1S/C16H32O.C2H6/c1-11(2)16(6)8-7-12(3)15(9-14(5)17)13(4)10-16;1-2/h11-15,17H,7-10H2,1-6H3;1-2H3
InChIKeyMGRUTXCJPJEWDB-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.52
Rot. Bonds3

About ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol

ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol (PubChem CID 142883915) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol.

Molecular Properties

Compound Nameethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol
PubChem CID142883915
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Nameethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol
SMILESCC.CC(O)CC1C(C)CCC(C)(C(C)C)CC1C
InChIInChI=1S/C16H32O.C2H6/c1-11(2)16(6)8-7-12(3)15(9-14(5)17)13(4)10-16;1-2/h11-15,17H,7-10H2,1-6H3;1-2H3
InChIKeyMGRUTXCJPJEWDB-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol?
The IUPAC name of ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol (CID 142883915) is ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol.
What is the SMILES notation for ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol?
The canonical SMILES for ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol is CC.CC(O)CC1C(C)CCC(C)(C(C)C)CC1C.
What is the InChIKey of ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol?
The InChIKey is MGRUTXCJPJEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O.C2H6/c1-11(2)16(6)8-7-12(3)15(9-14(5)17)13(4)10-16;1-2/h11-15,17H,7-10H2,1-6H3;1-2H3.
What are the key properties of ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol?
ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol has a molecular weight of 270.50 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,4,7-trimethyl-4-propan-2-ylcycloheptyl)propan-2-ol is sourced from PubChem (CID 142883915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).