(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide

C16H27NO2 — CID 143459859

IUPAC(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide
SMILESCC/C(C)=C(/CC(N)=O)C1(C)CC(OC)=CCC1C
InChIInChI=1S/C16H27NO2/c1-6-11(2)14(9-15(17)18)16(4)10-13(19-5)8-7-12(16)3/h8,12H,6-7,9-10H2,1-5H3,(H2,17,18)/b14-11-
InChIKeyXGKHZXSAENAOPO-KAMYIIQDSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds5

About (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide

(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide (PubChem CID 143459859) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide.

Molecular Properties

Compound Name(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide
PubChem CID143459859
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide
SMILESCC/C(C)=C(/CC(N)=O)C1(C)CC(OC)=CCC1C
InChIInChI=1S/C16H27NO2/c1-6-11(2)14(9-15(17)18)16(4)10-13(19-5)8-7-12(16)3/h8,12H,6-7,9-10H2,1-5H3,(H2,17,18)/b14-11-
InChIKeyXGKHZXSAENAOPO-KAMYIIQDSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide?
The IUPAC name of (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide (CID 143459859) is (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide.
What is the SMILES notation for (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide?
The canonical SMILES for (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide is CC/C(C)=C(/CC(N)=O)C1(C)CC(OC)=CCC1C.
What is the InChIKey of (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide?
The InChIKey is XGKHZXSAENAOPO-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-11(2)14(9-15(17)18)16(4)10-13(19-5)8-7-12(16)3/h8,12H,6-7,9-10H2,1-5H3,(H2,17,18)/b14-11-.
What are the key properties of (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide?
(Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide has a molecular weight of 265.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methoxy-1,6-dimethylcyclohex-3-en-1-yl)-4-methylhex-3-enamide is sourced from PubChem (CID 143459859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).