2-cyclohexyl-5-methoxy-3-methylpentan-2-ol

C13H26O2 — CID 114795055

IUPAC2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
SMILESCOCCC(C)C(C)(O)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(9-10-15-3)13(2,14)12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyPDTXWUNYDUCTMC-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds5

About 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol

2-cyclohexyl-5-methoxy-3-methylpentan-2-ol (PubChem CID 114795055) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
PubChem CID114795055
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
SMILESCOCCC(C)C(C)(O)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(9-10-15-3)13(2,14)12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyPDTXWUNYDUCTMC-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol?
The IUPAC name of 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol (CID 114795055) is 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol.
What is the SMILES notation for 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol?
The canonical SMILES for 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol is COCCC(C)C(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol?
The InChIKey is PDTXWUNYDUCTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(9-10-15-3)13(2,14)12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol?
2-cyclohexyl-5-methoxy-3-methylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methoxy-3-methylpentan-2-ol is sourced from PubChem (CID 114795055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).