ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol

C15H32O — CID 155738188

IUPACethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
SMILESC=CCO.CC.CCC1CCC(C)C1(C)C
InChIInChI=1S/C10H20.C3H6O.C2H6/c1-5-9-7-6-8(2)10(9,3)4;1-2-3-4;1-2/h8-9H,5-7H2,1-4H3;2,4H,1,3H2;1-2H3
InChIKeyUJUVIRUBOOKHRM-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.66
Rot. Bonds2

About ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol

ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol (PubChem CID 155738188) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol.

Molecular Properties

Compound Nameethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
PubChem CID155738188
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Nameethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
SMILESC=CCO.CC.CCC1CCC(C)C1(C)C
InChIInChI=1S/C10H20.C3H6O.C2H6/c1-5-9-7-6-8(2)10(9,3)4;1-2-3-4;1-2/h8-9H,5-7H2,1-4H3;2,4H,1,3H2;1-2H3
InChIKeyUJUVIRUBOOKHRM-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.66
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 ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol?
The IUPAC name of ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol (CID 155738188) is ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol.
What is the SMILES notation for ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol?
The canonical SMILES for ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol is C=CCO.CC.CCC1CCC(C)C1(C)C.
What is the InChIKey of ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol?
The InChIKey is UJUVIRUBOOKHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C3H6O.C2H6/c1-5-9-7-6-8(2)10(9,3)4;1-2-3-4;1-2/h8-9H,5-7H2,1-4H3;2,4H,1,3H2;1-2H3.
What are the key properties of ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol?
ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol is sourced from PubChem (CID 155738188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).