5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol

C15H24O — CID 11106910

IUPAC5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol
SMILESCC(C)(C)C1CC=C(C#CCCCO)CC1
InChIInChI=1S/C15H24O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8,14,16H,4,6,9-12H2,1-3H3
InChIKeyFPXDCDAIUWTJNA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds2

About 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol

5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol (PubChem CID 11106910) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol
PubChem CID11106910
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol
SMILESCC(C)(C)C1CC=C(C#CCCCO)CC1
InChIInChI=1S/C15H24O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8,14,16H,4,6,9-12H2,1-3H3
InChIKeyFPXDCDAIUWTJNA-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol?
The IUPAC name of 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol (CID 11106910) is 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol?
The canonical SMILES for 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol is CC(C)(C)C1CC=C(C#CCCCO)CC1.
What is the InChIKey of 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol?
The InChIKey is FPXDCDAIUWTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8,14,16H,4,6,9-12H2,1-3H3.
What are the key properties of 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol?
5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexen-1-yl)pent-4-yn-1-ol is sourced from PubChem (CID 11106910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).