4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol

C16H26O — CID 21159932

IUPAC4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol
SMILESC/C=C(/C)C#CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26O/c1-6-13(2)7-10-16(17)11-8-14(9-12-16)15(3,4)5/h6,14,17H,8-9,11-12H2,1-5H3/b13-6-
InChIKeyAOWOEOJHYLJDTC-MLPAPPSSSA-N
MW234.38 g/mol
LogP3.92
Rot. Bonds

About 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol

4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol (PubChem CID 21159932) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol
PubChem CID21159932
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol
SMILESC/C=C(/C)C#CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26O/c1-6-13(2)7-10-16(17)11-8-14(9-12-16)15(3,4)5/h6,14,17H,8-9,11-12H2,1-5H3/b13-6-
InChIKeyAOWOEOJHYLJDTC-MLPAPPSSSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol (CID 21159932) is 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol is C/C=C(/C)C#CC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol?
The InChIKey is AOWOEOJHYLJDTC-MLPAPPSSSA-N. The full InChI is InChI=1S/C16H26O/c1-6-13(2)7-10-16(17)11-8-14(9-12-16)15(3,4)5/h6,14,17H,8-9,11-12H2,1-5H3/b13-6-.
What are the key properties of 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol?
4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(Z)-3-methylpent-3-en-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 21159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).