2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane

C14H28 — CID 174065751

IUPAC2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane
SMILESC=C(C(C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h10,12H,3H2,1-2,4-9H3
InChIKeyUSLBEUUZCBDNDJ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.91
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane

2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane (PubChem CID 174065751) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane
PubChem CID174065751
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane
SMILESC=C(C(C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h10,12H,3H2,1-2,4-9H3
InChIKeyUSLBEUUZCBDNDJ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane?
The IUPAC name of 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane (CID 174065751) is 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane?
The canonical SMILES for 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane is C=C(C(C(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane?
The InChIKey is USLBEUUZCBDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h10,12H,3H2,1-2,4-9H3.
What are the key properties of 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane?
2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane has a molecular weight of 196.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane is sourced from PubChem (CID 174065751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).