(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one

C15H26O2 — CID 90477896

IUPAC(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one
SMILESC/C1=C/CC(=O)C(C)CCC(C(C)(C)O)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-
InChIKeyDWMJDYZSFOSGLA-WDZFZDKYSA-N
MW238.37 g/mol
LogP3.49
Rot. Bonds1

About (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one

(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one (PubChem CID 90477896) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one.

Molecular Properties

Compound Name(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one
PubChem CID90477896
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one
SMILESC/C1=C/CC(=O)C(C)CCC(C(C)(C)O)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-
InChIKeyDWMJDYZSFOSGLA-WDZFZDKYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.49
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 (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one?
The IUPAC name of (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one (CID 90477896) is (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one.
What is the SMILES notation for (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one?
The canonical SMILES for (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one is C/C1=C/CC(=O)C(C)CCC(C(C)(C)O)CC1.
What is the InChIKey of (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one?
The InChIKey is DWMJDYZSFOSGLA-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one?
(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one is sourced from PubChem (CID 90477896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).