ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol

C13H26O — CID 176959292

IUPACethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CC.CC
InChIInChI=1S/C11H20O.C2H6/c1-5-9-8(4)10(7(2)3)6-11(9)12;1-2/h7,9-12H,4-6H2,1-3H3;1-2H3
InChIKeyGFSMEMHXUDFSQN-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.63
Rot. Bonds2

About ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol

ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol (PubChem CID 176959292) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nameethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol
PubChem CID176959292
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CC.CC
InChIInChI=1S/C11H20O.C2H6/c1-5-9-8(4)10(7(2)3)6-11(9)12;1-2/h7,9-12H,4-6H2,1-3H3;1-2H3
InChIKeyGFSMEMHXUDFSQN-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.63
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-3-methylidene-4-propan-2-ylcyclopentan-1-ol?
The IUPAC name of ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol (CID 176959292) is ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol is C=C1C(C(C)C)CC(O)C1CC.CC.
What is the InChIKey of ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol?
The InChIKey is GFSMEMHXUDFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.C2H6/c1-5-9-8(4)10(7(2)3)6-11(9)12;1-2/h7,9-12H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol?
ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methylidene-4-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 176959292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).