cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol

C14H26O2 — CID 15417724

IUPACcyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol
SMILESCC(C)C(OC(O)=C1CCCCC1)C(C)C
InChIInChI=1S/C14H26O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12/h10-11,13,15H,5-9H2,1-4H3
InChIKeyLMCCNBDEXXXNJC-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.42
Rot. Bonds4

About cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol

cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol (PubChem CID 15417724) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol.

Molecular Properties

Compound Namecyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol
PubChem CID15417724
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namecyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol
SMILESCC(C)C(OC(O)=C1CCCCC1)C(C)C
InChIInChI=1S/C14H26O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12/h10-11,13,15H,5-9H2,1-4H3
InChIKeyLMCCNBDEXXXNJC-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol?
The IUPAC name of cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol (CID 15417724) is cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol.
What is the SMILES notation for cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol?
The canonical SMILES for cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol is CC(C)C(OC(O)=C1CCCCC1)C(C)C.
What is the InChIKey of cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol?
The InChIKey is LMCCNBDEXXXNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol?
cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol has a molecular weight of 226.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol is sourced from PubChem (CID 15417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).