4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol

C15H30O2 — CID 122582578

IUPAC4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol
SMILESCC(C)C1CCC(C)(C)CC1OCCCCO
InChIInChI=1S/C15H30O2/c1-12(2)13-7-8-15(3,4)11-14(13)17-10-6-5-9-16/h12-14,16H,5-11H2,1-4H3
InChIKeyLGSJXAFULSFNLJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.63
Rot. Bonds6

About 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol

4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol (PubChem CID 122582578) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol
PubChem CID122582578
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol
SMILESCC(C)C1CCC(C)(C)CC1OCCCCO
InChIInChI=1S/C15H30O2/c1-12(2)13-7-8-15(3,4)11-14(13)17-10-6-5-9-16/h12-14,16H,5-11H2,1-4H3
InChIKeyLGSJXAFULSFNLJ-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol?
The IUPAC name of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol (CID 122582578) is 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol.
What is the SMILES notation for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol?
The canonical SMILES for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol is CC(C)C1CCC(C)(C)CC1OCCCCO.
What is the InChIKey of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol?
The InChIKey is LGSJXAFULSFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12(2)13-7-8-15(3,4)11-14(13)17-10-6-5-9-16/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol?
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)oxybutan-1-ol is sourced from PubChem (CID 122582578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).