2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol

C15H28O2 — CID 54265768

IUPAC2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol
SMILESC=C1CCC[C@@](C)(CCOCCC(C)(C)O)C1
InChIInChI=1S/C15H28O2/c1-13-6-5-7-15(4,12-13)9-11-17-10-8-14(2,3)16/h16H,1,5-12H2,2-4H3/t15-/m0/s1
InChIKeyRGQJPDSLZMQINJ-HNNXBMFYSA-N
MW240.39 g/mol
LogP3.69
Rot. Bonds6

About 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol

2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol (PubChem CID 54265768) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol
PubChem CID54265768
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol
SMILESC=C1CCC[C@@](C)(CCOCCC(C)(C)O)C1
InChIInChI=1S/C15H28O2/c1-13-6-5-7-15(4,12-13)9-11-17-10-8-14(2,3)16/h16H,1,5-12H2,2-4H3/t15-/m0/s1
InChIKeyRGQJPDSLZMQINJ-HNNXBMFYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol (CID 54265768) is 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol is C=C1CCC[C@@](C)(CCOCCC(C)(C)O)C1.
What is the InChIKey of 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol?
The InChIKey is RGQJPDSLZMQINJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13-6-5-7-15(4,12-13)9-11-17-10-8-14(2,3)16/h16H,1,5-12H2,2-4H3/t15-/m0/s1.
What are the key properties of 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol?
2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol is sourced from PubChem (CID 54265768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).