2-but-2-enyl-4-tert-butylcyclohexan-1-ol

C14H26O — CID 76919133

IUPAC2-but-2-enyl-4-tert-butylcyclohexan-1-ol
SMILESCC=CCC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C14H26O/c1-5-6-7-11-10-12(14(2,3)4)8-9-13(11)15/h5-6,11-13,15H,7-10H2,1-4H3
InChIKeyXWFBCWYDNUTFIU-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds2

About 2-but-2-enyl-4-tert-butylcyclohexan-1-ol

2-but-2-enyl-4-tert-butylcyclohexan-1-ol (PubChem CID 76919133) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-but-2-enyl-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2-but-2-enyl-4-tert-butylcyclohexan-1-ol
PubChem CID76919133
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-but-2-enyl-4-tert-butylcyclohexan-1-ol
SMILESCC=CCC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C14H26O/c1-5-6-7-11-10-12(14(2,3)4)8-9-13(11)15/h5-6,11-13,15H,7-10H2,1-4H3
InChIKeyXWFBCWYDNUTFIU-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 2-but-2-enyl-4-tert-butylcyclohexan-1-ol (CID 76919133) is 2-but-2-enyl-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 2-but-2-enyl-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 2-but-2-enyl-4-tert-butylcyclohexan-1-ol is CC=CCC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 2-but-2-enyl-4-tert-butylcyclohexan-1-ol?
The InChIKey is XWFBCWYDNUTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-7-11-10-12(14(2,3)4)8-9-13(11)15/h5-6,11-13,15H,7-10H2,1-4H3.
What are the key properties of 2-but-2-enyl-4-tert-butylcyclohexan-1-ol?
2-but-2-enyl-4-tert-butylcyclohexan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 76919133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).