7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol

C17H30O — CID 70365940

IUPAC7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol
SMILESCC1=CCC(C)C(C)(C)C1CCC=CCC(C)O
InChIInChI=1S/C17H30O/c1-13-11-12-14(2)17(4,5)16(13)10-8-6-7-9-15(3)18/h6-7,11,14-16,18H,8-10,12H2,1-5H3
InChIKeyOXARBKRFDRHFQW-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.72
Rot. Bonds5

About 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol

7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol (PubChem CID 70365940) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol.

Molecular Properties

Compound Name7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol
PubChem CID70365940
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol
SMILESCC1=CCC(C)C(C)(C)C1CCC=CCC(C)O
InChIInChI=1S/C17H30O/c1-13-11-12-14(2)17(4,5)16(13)10-8-6-7-9-15(3)18/h6-7,11,14-16,18H,8-10,12H2,1-5H3
InChIKeyOXARBKRFDRHFQW-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.72
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 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol?
The IUPAC name of 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol (CID 70365940) is 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol.
What is the SMILES notation for 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol?
The canonical SMILES for 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol is CC1=CCC(C)C(C)(C)C1CCC=CCC(C)O.
What is the InChIKey of 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol?
The InChIKey is OXARBKRFDRHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-13-11-12-14(2)17(4,5)16(13)10-8-6-7-9-15(3)18/h6-7,11,14-16,18H,8-10,12H2,1-5H3.
What are the key properties of 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol?
7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol has a molecular weight of 250.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol is sourced from PubChem (CID 70365940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).