4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol

C15H28O2 — CID 155619006

IUPAC4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol
SMILESC=C1C(COC(C)(C)C)C(O)CC1C(C)(C)C
InChIInChI=1S/C15H28O2/c1-10-11(9-17-15(5,6)7)13(16)8-12(10)14(2,3)4/h11-13,16H,1,8-9H2,2-7H3
InChIKeyKDENUBRNCZRFJY-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.40
Rot. Bonds2

About 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol

4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol (PubChem CID 155619006) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol
PubChem CID155619006
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol
SMILESC=C1C(COC(C)(C)C)C(O)CC1C(C)(C)C
InChIInChI=1S/C15H28O2/c1-10-11(9-17-15(5,6)7)13(16)8-12(10)14(2,3)4/h11-13,16H,1,8-9H2,2-7H3
InChIKeyKDENUBRNCZRFJY-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol?
The IUPAC name of 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol (CID 155619006) is 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol?
The canonical SMILES for 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol is C=C1C(COC(C)(C)C)C(O)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol?
The InChIKey is KDENUBRNCZRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10-11(9-17-15(5,6)7)13(16)8-12(10)14(2,3)4/h11-13,16H,1,8-9H2,2-7H3.
What are the key properties of 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol?
4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 155619006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).