2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol

C16H32O2 — CID 122488369

IUPAC2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol
SMILESCC(C)(C)CC(C)(C)C1CCC(OCCO)CC1
InChIInChI=1S/C16H32O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h13-14,17H,6-12H2,1-5H3
InChIKeySHFHWJLLPGUFSM-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.02
Rot. Bonds5

About 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol

2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol (PubChem CID 122488369) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol
PubChem CID122488369
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol
SMILESCC(C)(C)CC(C)(C)C1CCC(OCCO)CC1
InChIInChI=1S/C16H32O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h13-14,17H,6-12H2,1-5H3
InChIKeySHFHWJLLPGUFSM-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol (CID 122488369) is 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol is CC(C)(C)CC(C)(C)C1CCC(OCCO)CC1.
What is the InChIKey of 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol?
The InChIKey is SHFHWJLLPGUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol?
2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol has a molecular weight of 256.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethanol is sourced from PubChem (CID 122488369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).