4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile

C15H27NO — CID 130223683

IUPAC4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile
SMILESCC(C)(C)C1CCCC(O)CCC(C#N)CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)13-5-4-6-14(17)10-8-12(11-16)7-9-13/h12-14,17H,4-10H2,1-3H3
InChIKeyMXXSRFHMAKGNNF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.89
Rot. Bonds

About 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile

4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile (PubChem CID 130223683) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile
PubChem CID130223683
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile
SMILESCC(C)(C)C1CCCC(O)CCC(C#N)CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)13-5-4-6-14(17)10-8-12(11-16)7-9-13/h12-14,17H,4-10H2,1-3H3
InChIKeyMXXSRFHMAKGNNF-UHFFFAOYSA-N
XLogP3.89
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile (CID 130223683) is 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile is CC(C)(C)C1CCCC(O)CCC(C#N)CC1.
What is the InChIKey of 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile?
The InChIKey is MXXSRFHMAKGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)13-5-4-6-14(17)10-8-12(11-16)7-9-13/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile?
4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8-hydroxycyclodecane-1-carbonitrile is sourced from PubChem (CID 130223683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).