4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide

C14H27NO2 — CID 143238683

IUPAC4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.OCCCC[C@@H]1C=CCCC1
InChIInChI=1S/C10H18O.C4H9NO/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(6)5(2)3/h2,6,10-11H,1,3-5,7-9H2;1-3H3/t10-;/m1./s1
InChIKeyBCPHTPGKAYDHIG-HNCPQSOCSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds4

About 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide

4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide (PubChem CID 143238683) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide.

Molecular Properties

Compound Name4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
PubChem CID143238683
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.OCCCC[C@@H]1C=CCCC1
InChIInChI=1S/C10H18O.C4H9NO/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(6)5(2)3/h2,6,10-11H,1,3-5,7-9H2;1-3H3/t10-;/m1./s1
InChIKeyBCPHTPGKAYDHIG-HNCPQSOCSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide?
The IUPAC name of 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide (CID 143238683) is 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide.
What is the SMILES notation for 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide?
The canonical SMILES for 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide is CC(=O)N(C)C.OCCCC[C@@H]1C=CCCC1.
What is the InChIKey of 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide?
The InChIKey is BCPHTPGKAYDHIG-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H18O.C4H9NO/c11-9-5-4-8-10-6-2-1-3-7-10;1-4(6)5(2)3/h2,6,10-11H,1,3-5,7-9H2;1-3H3/t10-;/m1./s1.
What are the key properties of 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide?
4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide has a molecular weight of 241.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide is sourced from PubChem (CID 143238683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).