acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol

C16H24O — CID 6455739

IUPACacetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESC#C.CC(C)(C)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C2H2/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2/h6-9,15H,10H2,1-5H3;1-2H
InChIKeyJIVPFTRBHANEMA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.36
Rot. Bonds2

About acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol

acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 6455739) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Nameacetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID6455739
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Nameacetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESC#C.CC(C)(C)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C2H2/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2/h6-9,15H,10H2,1-5H3;1-2H
InChIKeyJIVPFTRBHANEMA-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol (CID 6455739) is acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol is C#C.CC(C)(C)CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is JIVPFTRBHANEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C2H2/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2/h6-9,15H,10H2,1-5H3;1-2H.
What are the key properties of acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol?
acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 232.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 6455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).