ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol

C14H28O — CID 176959267

IUPACethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CCC.CC
InChIInChI=1S/C12H22O.C2H6/c1-5-6-10-9(4)11(8(2)3)7-12(10)13;1-2/h8,10-13H,4-7H2,1-3H3;1-2H3
InChIKeyMIHIJJARWBROEA-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.02
Rot. Bonds3

About ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol

ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol (PubChem CID 176959267) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol.

Molecular Properties

Compound Nameethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
PubChem CID176959267
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Nameethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CCC.CC
InChIInChI=1S/C12H22O.C2H6/c1-5-6-10-9(4)11(8(2)3)7-12(10)13;1-2/h8,10-13H,4-7H2,1-3H3;1-2H3
InChIKeyMIHIJJARWBROEA-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.02
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;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The IUPAC name of ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol (CID 176959267) is ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol.
What is the SMILES notation for ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The canonical SMILES for ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol is C=C1C(C(C)C)CC(O)C1CCC.CC.
What is the InChIKey of ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The InChIKey is MIHIJJARWBROEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C2H6/c1-5-6-10-9(4)11(8(2)3)7-12(10)13;1-2/h8,10-13H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol is sourced from PubChem (CID 176959267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).